data_1u96_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 1u96 _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 ' 20' ' ' PRO . . . . . 0.553 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 67.3 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.997 0.332 . . . . 0.0 112.166 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.553 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 17.3 ptmt -144.87 55.5 3.14 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.553 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -23.91 91.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 124.981 3.788 . . . . 0.0 113.508 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.448 ' SG ' HG12 ' A' ' 25' ' ' VAL . 24.6 p -67.71 -159.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.167 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.72 -19.99 47.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.973 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.465 HG13 ' HB2' ' A' ' 63' ' ' PHE . 1.2 p -65.49 -18.92 24.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 110.974 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.6 p -126.26 114.89 18.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.679 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 56.1 tptt -161.02 -50.94 0.01 OUTLIER Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.84 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.679 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 19.9 Cg_endo -60.74 -55.51 1.37 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.045 1.83 . . . . 0.0 113.063 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -31.59 65.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.825 0.345 . . . . 0.0 110.776 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -64.35 -44.14 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.275 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.43 -34.77 78.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.359 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.07 -37.09 83.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -68.98 -45.69 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.789 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.39 -44.24 97.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.734 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.9 m -63.89 -40.65 97.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.6 t -61.29 -43.88 98.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.38 -24.38 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -52.4 20.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.297 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -74.64 -42.59 58.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.636 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.77 -64.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 111.299 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 43' ' ' ASP . . . 117.82 20.06 4.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.419 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 65.26 -7.9 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.725 0.298 . . . . 0.0 110.989 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' A' ' 41' ' ' GLY . 6.6 p-10 -83.14 6.95 17.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -109.62 100.32 9.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 58.53 17.66 5.12 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 61.89 7.28 1.97 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.7 t 54.22 24.39 4.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HA ' HD12 ' A' ' 51' ' ' ILE . 39.6 ttpt -70.54 -18.74 62.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.71 -47.48 85.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -68.07 -32.82 73.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 48' ' ' LYS . 80.6 mt -64.85 -44.4 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -69.07 -48.28 63.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -57.48 -37.36 72.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.077 0.465 . . . . 0.0 110.445 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -67.6 -56.62 8.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.394 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -57.78 -27.65 63.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.592 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.6 tt0 -78.9 -34.81 44.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.425 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.5 t -84.49 -14.37 49.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.709 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.422 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . 23.3 mmt -101.04 -39.25 7.81 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.592 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -67.18 -20.09 65.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.503 -179.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.467 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -105.77 97.7 1.32 Allowed Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.592 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 55.64 17.73 2.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -82.89 -94.48 0.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.465 ' HB2' HG13 ' A' ' 25' ' ' VAL . 16.8 t80 -141.64 -90.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.605 0.24 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HG3' ' HG3' ' A' ' 20' ' ' PRO . 10.5 pt-20 -171.52 139.66 1.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 CA--C 1.531 0.234 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.678 179.705 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.621 ' HG3' ' H ' ' A' ' 65' ' ' VAL . 23.6 Cg_endo . . . . . 0 N--CA 1.459 -0.54 0 CA-C-O 120.68 0.2 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt 61.48 63.93 2.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.675 -178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.566 ' HD3' ' HD2' ' A' ' 20' ' ' PRO . 32.1 Cg_endo -62.91 115.34 2.88 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.938 2.425 . . . . 0.0 112.417 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.5 m -161.79 17.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.197 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.2 t -108.82 2.52 21.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -159.48 -32.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.602 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.7 p -63.49 140.38 58.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 38.1 ttpt -165.86 -53.38 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.436 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.506 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 70.4 Cg_endo -75.13 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.058 1.839 . . . . 0.0 112.475 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.05 -27.22 68.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.01 -56.38 10.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.24 -40.28 93.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.455 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.55 -45.21 91.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.49 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -63.49 -51.57 64.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.259 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.18 -42.17 80.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.962 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.2 m -62.14 -42.95 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.81 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -61.08 -46.15 91.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.7 mt -71.74 -21.61 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.87 -47.01 41.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -85.55 -57.57 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.461 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -75.12 -63.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.075 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.34 -179.19 16.49 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -77.1 -7.24 55.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -131.37 94.35 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.993 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.0 t -171.16 96.65 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.703 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 56.52 22.72 6.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 59.88 88.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.6 p -83.11 18.56 1.65 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -66.46 -11.31 51.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.163 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.91 -42.5 80.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.013 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -64.08 -44.77 91.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.115 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.04 -56.87 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.252 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -55.11 -40.21 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.6 -41.46 98.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.43 ' O ' ' HG2' ' A' ' 58' ' ' MET . 79.9 t80 -58.87 -58.71 7.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.476 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -52.16 -42.43 63.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 41.4 tt0 -64.76 -32.89 74.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.343 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.2 t -84.3 -16.74 41.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.363 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 96.1 mmm -84.74 -56.65 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.97 -9.8 42.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.663 0.268 . . . . 0.0 111.456 -179.1 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.17 -16.11 59.58 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -123.93 -25.99 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.2 25.95 15.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.315 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -103.17 127.25 50.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.66 0.267 . . . . 0.0 110.548 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 60.36 -165.8 0.2 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.614 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.621 ' H ' ' HG3' ' A' ' 20' ' ' PRO . 40.7 t . . . . . 0 CA--C 1.533 0.306 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.094 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 95.1 Cg_endo . . . . . 0 N--CA 1.459 -0.508 0 CA-C-O 121.076 0.365 . . . . 0.0 112.183 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.523 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 62.6 tttp -172.49 70.81 0.42 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.584 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.47 87.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.842 2.362 . . . . 0.0 113.067 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -168.91 170.95 8.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.786 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.7 m 63.46 5.36 2.06 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.172 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 m -143.67 -32.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.25 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.7 p -79.67 105.09 10.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.198 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.642 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 29.0 mtpp -126.51 -51.8 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.42 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.642 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 15.2 Cg_exo -69.14 -54.58 0.24 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.106 1.871 . . . . 0.0 111.862 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 4.5 tm-20 -56.52 -33.79 66.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.716 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -62.77 -43.19 99.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.622 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -68.71 -35.87 77.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.67 -57.55 7.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -58.09 -42.41 85.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.55 -50.66 72.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -56.3 -40.28 74.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 t -62.51 -43.06 99.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.556 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.66 -32.86 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.17 -44.37 72.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -76.09 -71.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.623 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -74.57 -64.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.436 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.95 168.82 11.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.369 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -95.51 2.56 54.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.89 -1.91 27.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -75.97 -71.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -130.75 18.28 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 13.0 mptt 62.87 5.6 1.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.898 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.8 m 53.22 26.48 5.14 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -63.3 -18.62 63.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.57 -44.05 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -68.17 -38.86 82.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.53 -59.35 4.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.16 -42.3 80.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.635 ' HZ2' ' HB2' ' A' ' 53' ' ' LYS . 4.8 ttmp? -60.62 -35.24 75.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.622 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.431 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 36.0 t80 -65.51 -60.95 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.498 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 59' ' ' LYS . 28.1 mtpp -54.12 -30.98 50.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.746 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 2.2 tm-20 -77.82 -40.88 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.796 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.7 m -84.92 -9.54 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 mmt -104.98 -39.68 6.17 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -61.11 -10.61 6.54 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.89 19.42 11.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.449 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -146.95 -31.69 0.32 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.678 0.275 . . . . 0.0 111.047 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.08 109.08 0.27 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.372 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -135.44 -32.96 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.847 0.356 . . . . 0.0 111.198 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -167.18 -32.11 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.511 ' HA ' ' HG3' ' A' ' 20' ' ' PRO . 1.7 m . . . . . 0 CA--C 1.532 0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.281 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.476 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 51.5 Cg_endo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.792 0.247 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.653 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 23.2 pttm -164.91 49.41 0.21 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.609 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.653 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 35.5 Cg_endo -93.58 -77.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.857 2.371 . . . . 0.0 111.901 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.4 t 54.95 17.08 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.277 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.5 t -111.41 8.28 21.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.51 -29.59 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.128 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.3 127.85 36.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.645 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 50.6 mtpt -142.35 -54.02 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.643 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.645 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.1 Cg_endo -75.25 -52.08 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.079 1.853 . . . . 0.0 112.613 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.99 -35.88 81.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.37 -37.73 85.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.743 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.39 -53.72 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -58.24 -39.66 79.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -64.18 -56.53 14.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.987 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -55.09 -41.84 72.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.5 m -61.26 -45.56 94.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.17 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.1 t -65.27 -32.65 74.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.558 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 93.7 mt -71.86 -35.82 56.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.404 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.3 mt -81.93 -28.46 32.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.613 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -90.04 -64.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -124.45 38.47 4.19 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.558 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -139.58 -154.79 6.42 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.792 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 68.67 -3.93 1.28 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.43 0.292 . . . . 0.0 111.376 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -177.43 -35.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.826 0.345 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.4 m -58.12 -74.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.504 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 47' ' ' CYS . 42.3 mt-10 -113.14 -0.85 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.341 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 67.39 -9.74 0.39 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.87 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 45' ' ' GLU . 68.7 m 54.3 26.74 7.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.44 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' HA ' HD13 ' A' ' 51' ' ' ILE . 55.6 mtpt -55.23 -26.15 37.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.32 -46.27 84.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -69.12 -34.51 75.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.069 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 48' ' ' LYS . 77.0 mt -63.54 -52.82 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.559 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 12.8 pt-20 -68.93 -41.06 78.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.244 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -59.52 -36.21 75.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.183 0.516 . . . . 0.0 110.088 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.29 -54.09 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.575 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 18.1 pttp -56.72 -31.27 64.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.078 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.554 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 48.5 mt-10 -81.08 -34.96 32.3 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.648 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.1 t -83.54 -9.93 58.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.73 0.3 . . . . 0.0 111.205 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.608 ' HE3' ' HA ' ' A' ' 58' ' ' MET . 19.4 mmt -102.05 -44.27 5.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.554 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.2 -17.09 63.75 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.122 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.435 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -67.19 -52.37 32.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -163.56 10.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.965 0.412 . . . . 0.0 110.615 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.54 -91.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.426 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -178.13 136.9 0.17 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.861 0.362 . . . . 0.0 111.261 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.476 ' HG3' ' HB3' ' A' ' 22' ' ' PRO . 16.3 mm-40 60.25 -123.11 1.03 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.346 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 CA--C 1.533 0.309 0 O-C-N 123.014 0.196 . . . . 0.0 111.126 -179.45 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HB2' ' HB3' ' A' ' 64' ' ' GLU . 42.8 Cg_endo . . . . . 0 N--CA 1.463 -0.316 0 CA-C-O 120.611 0.171 . . . . 0.0 111.853 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm 60.79 70.72 0.92 Allowed Pre-proline 0 C--N 1.33 -0.267 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.44 96.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.912 2.408 . . . . 0.0 112.7 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.5 m -167.0 20.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.4 m -111.01 4.0 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.422 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -168.45 -27.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.517 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.24 125.72 24.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.985 0.421 . . . . 0.0 111.058 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.624 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 28.8 mtpp -141.85 -55.57 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.355 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.624 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 87.7 Cg_endo -75.74 -27.35 8.93 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.18 1.92 . . . . 0.0 112.186 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.58 -36.78 85.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -67.96 -36.98 81.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.114 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.03 -49.23 59.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.783 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.01 -52.32 64.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.023 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -56.51 -43.91 80.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.1 -43.66 87.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -58.61 -44.99 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.52 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -60.94 -38.31 85.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.712 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.412 HG23 ' HA ' ' A' ' 42' ' ' GLN . 77.2 mt -72.04 -26.14 24.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 tt -72.2 -48.7 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -77.17 -57.35 3.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.713 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -74.72 -64.05 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.431 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.07 -178.45 23.76 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.412 ' HA ' HG23 ' A' ' 37' ' ' ILE . 78.1 mt-30 -76.39 -5.46 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.666 0.27 . . . . 0.0 111.044 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -165.83 118.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.26 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.8 t -171.49 20.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.46 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 61.54 24.36 14.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.66 -36.33 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.233 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.41 ' O ' HG13 ' A' ' 51' ' ' ILE . 71.7 m -77.66 -22.37 50.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.17 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.619 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 8.6 mtpm? -53.89 -33.35 56.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.85 -43.14 84.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.048 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -67.82 -34.75 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 47' ' ' CYS . 70.9 mt -64.61 -56.28 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -59.82 -37.99 80.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.685 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.75 -38.66 91.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.525 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.44 ' O ' ' HG2' ' A' ' 58' ' ' MET . 70.8 t80 -63.74 -57.14 10.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.592 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -55.61 -34.71 65.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.492 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.591 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.2 tt0 -77.49 -32.97 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.696 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.6 t -85.48 -12.84 50.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 87.5 mmm -104.32 -37.78 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.591 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -65.26 -7.17 11.91 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.315 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -54.4 -31.96 51.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.523 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.35 -19.87 3.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.776 0.322 . . . . 0.0 110.853 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.16 84.31 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.623 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -85.07 -34.6 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.096 0.475 . . . . 0.0 110.546 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' PRO . 14.2 mm-40 -153.12 -22.07 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HA ' ' HG3' ' A' ' 20' ' ' PRO . 45.2 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.485 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.53 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 60.9 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.797 0.249 . . . . 0.0 112.124 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 57.5 tptt -165.94 -50.23 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.591 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.604 ' HD3' ' HB3' ' A' ' 21' ' ' LYS . 5.4 Cg_exo -74.36 -22.59 16.18 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.292 1.994 . . . . 0.0 112.48 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.58 ' HG ' ' H ' ' A' ' 25' ' ' VAL . 3.0 p 52.17 17.9 0.78 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.544 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.8 m 59.32 7.77 0.99 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.739 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.58 ' H ' ' HG ' ' A' ' 23' ' ' CYS . 16.7 t 58.33 100.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.878 0.371 . . . . 0.0 111.153 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -120.79 160.85 22.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.11 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 39.3 ttpt -171.37 -52.24 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.251 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.531 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 58.6 Cg_endo -71.29 -54.79 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.052 1.835 . . . . 0.0 112.422 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -57.82 -45.24 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.33 -37.48 85.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.34 -40.15 95.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.26 -41.77 93.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.463 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -62.38 -45.49 92.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.04 -44.73 94.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.6 m -58.65 -46.19 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.803 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -56.67 -50.46 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.15 -22.46 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.76 -41.63 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -78.15 -63.53 1.37 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.241 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 44' ' ' SER . 2.5 p30 -90.41 -62.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.389 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.34 -171.87 18.08 Favored Glycine 0 N--CA 1.453 -0.172 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -89.14 -8.69 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.677 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -99.94 7.07 45.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.764 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.518 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . 87.6 p -68.72 -150.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.2 37.77 0.27 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 44' ' ' SER . 75.4 mmtt 63.75 92.89 0.06 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.008 0.432 . . . . 0.0 111.247 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.27 26.49 1.63 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.678 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -63.3 -10.44 16.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.252 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.11 -41.75 75.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -70.24 -34.15 72.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.2 -53.9 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.32 -46.26 90.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.789 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -58.43 -42.12 86.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.329 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 58' ' ' MET . 79.8 t80 -56.35 -54.77 41.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.977 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -54.67 -45.5 73.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.613 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.74 -35.85 66.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.446 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t -78.25 -23.69 47.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.464 ' HE3' ' HA ' ' A' ' 58' ' ' MET . 33.6 mmt -69.89 -58.44 3.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.497 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -17.79 53.03 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.091 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.71 83.32 1.6 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 33.1 t80 59.92 17.21 6.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.949 0.404 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.44 -93.92 0.02 OUTLIER Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -164.71 -66.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.0 0.429 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -163.93 124.24 2.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.043 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.53 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.575 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.501 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 58.7 Cg_endo . . . . . 0 N--CA 1.465 -0.193 0 CA-C-O 120.581 0.159 . . . . 0.0 112.411 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.601 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 8.5 ptpp? -161.09 52.13 0.39 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.68 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.601 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 41.9 Cg_endo -94.28 -70.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.917 2.411 . . . . 0.0 111.964 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.501 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 5.9 t 54.13 23.64 4.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.179 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -112.91 -2.66 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.618 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG22 ' HE3' ' A' ' 58' ' ' MET . 14.5 m -139.27 -0.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.57 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 32.1 p -116.75 114.92 24.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.614 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 62.3 mttp -147.0 -55.4 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.558 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.614 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.6 Cg_endo -75.79 -33.54 3.78 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.131 1.887 . . . . 0.0 112.759 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -53.56 -42.31 67.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.73 -35.61 80.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.01 -43.76 70.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.45 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -64.34 -54.26 35.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.6 -43.42 68.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.8 m -63.73 -38.16 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.688 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -60.47 -46.43 90.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.21 -29.73 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.63 -44.16 78.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.435 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -84.44 -52.65 6.0 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -74.22 -63.09 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.296 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.62 173.71 23.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.838 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -58.45 -18.47 28.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.685 0.279 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -170.78 118.06 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.2 m -150.12 36.69 0.68 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.368 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 64.74 26.49 13.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.338 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -124.48 -28.87 3.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.4 m -58.86 -43.82 90.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.33 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -67.01 -25.4 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.201 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.98 -47.15 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.129 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -67.37 -36.7 81.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.394 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.89 -56.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.089 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.92 -37.46 79.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -60.71 -43.72 97.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.256 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.416 ' O ' ' HG2' ' A' ' 58' ' ' MET . 72.7 t80 -61.39 -61.22 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.739 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -50.45 -51.65 45.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.44 -35.28 71.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.436 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.4 t -84.95 -10.37 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.514 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.49 ' HE3' HG22 ' A' ' 25' ' ' VAL . 88.6 mmm -101.82 -26.55 13.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -87.41 -36.19 17.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.825 0.345 . . . . 0.0 110.943 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.16 88.97 1.59 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.802 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 59.25 20.88 9.0 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.897 0.379 . . . . 0.0 110.403 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.72 -97.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.733 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -166.47 -76.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.917 0.389 . . . . 0.0 111.455 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 9.7 tp10 -137.0 127.56 26.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.664 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.696 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.672 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 36.9 Cg_endo . . . . . 0 N--CA 1.461 -0.439 0 CA-C-O 120.605 0.169 . . . . 0.0 112.301 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.539 ' H ' ' HD2' ' A' ' 22' ' ' PRO . 4.5 tppp? 179.63 -47.5 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.89 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.672 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 86.0 Cg_endo -78.32 -113.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.309 2.006 . . . . 0.0 112.653 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.7 t 54.15 25.45 5.69 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.3 t -112.89 -29.51 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.359 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.78 -31.44 44.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.178 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.5 p -60.75 146.65 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.583 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 64.0 tttp -167.38 -50.22 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.395 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 34.1 Cg_exo -60.0 -54.43 2.31 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.022 1.814 . . . . 0.0 112.137 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.82 -29.98 69.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -65.97 -43.11 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.363 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.63 -39.92 84.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.751 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.71 -54.65 39.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.5 ' O ' HG12 ' A' ' 37' ' ' ILE . 74.6 ttt180 -55.6 -48.99 73.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.727 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.59 -47.13 67.1 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.661 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.6 m -58.43 -40.93 83.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.276 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.5 t -67.94 -29.05 68.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.531 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 33' ' ' ARG . 33.5 mm -68.2 -44.94 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.1 mt -76.46 -28.31 56.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.66 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -86.33 -20.76 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -121.38 -64.7 1.2 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.665 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 37' ' ' ILE . . . -178.57 175.18 47.23 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.689 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.42 ' HA ' HG22 ' A' ' 37' ' ' ILE . 6.3 tp-100 -55.87 -18.83 9.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.69 0.281 . . . . 0.0 111.095 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -165.35 -45.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.3 p 48.42 -159.49 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.263 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -121.5 -2.36 9.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 3.2 mptp? -104.26 1.96 31.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.7 t -114.2 -16.52 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.999 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.645 ' HZ3' ' HB3' ' A' ' 48' ' ' LYS . 7.8 mtpm? -61.87 -23.26 66.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.27 -46.99 84.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -66.76 -32.78 74.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 48' ' ' LYS . 57.6 mt -66.32 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 111.341 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.2 -40.76 82.44 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.994 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.31 -40.58 96.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.226 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -59.8 -60.78 3.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 59' ' ' LYS . 65.0 mttm -50.78 -57.69 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.559 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.26 -34.65 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.413 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -84.87 -14.8 46.73 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.439 ' HB2' ' HG3' ' A' ' 64' ' ' GLU . 97.1 mmm -104.93 -11.41 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 55' ' ' LYS . 10.5 ptmt -100.6 -14.66 18.08 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.298 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.5 -63.87 4.7 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.234 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -143.34 13.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.512 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.55 -125.1 5.47 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.776 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.429 ' HB3' ' HB2' ' A' ' 22' ' ' PRO . 96.7 m-85 -143.27 134.59 26.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.654 0.264 . . . . 0.0 110.893 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 58' ' ' MET . 0.1 OUTLIER -173.57 -174.74 1.02 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.055 0.455 . . . . 0.0 111.371 179.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.482 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 30.0 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.403 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.581 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 57.8 Cg_endo . . . . . 0 C--O 1.232 0.223 0 CA-C-O 120.656 0.19 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HB2' ' HD3' ' A' ' 22' ' ' PRO . 49.2 mmtm -110.16 -49.99 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.844 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.581 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 88.6 Cg_exo -48.28 -81.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.325 2.017 . . . . 0.0 113.031 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.0 t 52.68 21.1 1.75 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.859 0.361 . . . . 0.0 111.174 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.0 t -106.32 -32.17 8.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.227 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 t -84.21 53.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.44 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.8 p -168.87 112.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.679 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 99.6 mttt -136.25 -54.27 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.605 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.679 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 58.7 Cg_endo -71.87 -52.76 0.19 Allowed 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.903 1.735 . . . . 0.0 112.1 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.33 -34.95 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.642 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -65.39 -51.42 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.761 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -59.38 -49.55 77.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.265 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.09 -39.23 81.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -62.01 -56.61 17.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.88 -35.93 67.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -61.63 -50.3 73.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.1 t -57.83 -44.14 86.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.786 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.6 mt -69.93 -23.77 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.24 -52.49 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -80.87 -54.66 5.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.845 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -74.74 -64.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.647 0.26 . . . . 0.0 111.305 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.52 179.4 17.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.571 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -62.23 -20.04 63.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.718 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -145.32 -87.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 t 56.24 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -110.53 43.0 1.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 58.98 86.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.008 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.61 9.56 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -76.23 -6.96 53.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.736 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -43.9 82.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.53 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -65.04 -32.68 74.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.747 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.3 mt -64.51 -53.58 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.69 -45.26 92.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.95 -37.02 83.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.416 ' O ' ' HG2' ' A' ' 58' ' ' MET . 81.3 t80 -62.37 -61.91 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 93.6 mttt -56.98 -34.31 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.63 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.558 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 37.3 tt0 -62.77 -45.66 91.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.382 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.1 m -84.81 -9.34 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.574 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.467 ' HB3' ' HB3' ' A' ' 63' ' ' PHE . 26.3 mmt -101.71 -14.27 17.43 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.558 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 8.2 pttp -90.96 -17.21 26.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.05 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.83 -10.89 41.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.65 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -99.74 -33.11 10.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.8 70.33 0.35 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.607 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.467 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 67.2 t80 -142.59 113.77 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.23 130.5 37.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.473 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 15.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 98.1 Cg_endo . . . . . 0 N--CA 1.456 -0.718 0 CA-C-O 120.967 0.32 . . . . 0.0 112.262 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.524 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 20.9 pttp -175.53 57.06 0.17 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.392 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 31.4 Cg_exo -58.42 85.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.691 2.26 . . . . 0.0 112.637 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -171.62 86.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.2 t -174.07 -32.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.759 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.2 p -133.84 -19.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.3 p -60.74 126.36 27.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.708 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 67.9 mttm -135.74 -54.26 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.776 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.708 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 54.6 Cg_endo -69.27 -55.02 0.21 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.034 1.823 . . . . 0.0 112.825 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.81 -40.49 97.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.004 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.69 -34.71 78.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.07 -45.67 69.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.49 -44.51 96.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.721 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -63.3 -42.43 99.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.745 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.47 -39.67 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -63.6 -45.02 92.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.84 -49.42 77.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.657 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.517 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 81.7 mt -61.12 -34.17 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.087 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 tp -73.7 -29.03 62.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -75.73 -67.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.413 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -153.3 12.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.235 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -69.88 -158.37 2.07 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.74 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 72.16 -22.58 0.21 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 122.61 0.364 . . . . 0.0 111.152 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' A' ' 41' ' ' GLY . 5.6 p-10 -176.29 78.28 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.7 t -170.97 -56.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' A' ' 47' ' ' CYS . 42.6 mt-10 -116.85 12.5 14.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 35.4 mmtp 71.99 -25.82 0.18 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.831 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.492 ' H ' ' C ' ' A' ' 45' ' ' GLU . 83.5 m 56.67 20.79 5.29 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.682 0.277 . . . . 0.0 111.382 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HG3' ' HB3' ' A' ' 46' ' ' LYS . 52.7 mtmt -85.52 -11.47 54.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.761 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.63 -47.01 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -69.51 -37.02 76.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.067 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.72 -51.33 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 46.4 mt-10 -68.63 -37.62 79.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.549 ' HB2' ' HZ3' ' A' ' 53' ' ' LYS . 4.4 ttmp? -61.52 -33.87 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.273 0.559 . . . . 0.0 109.673 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -71.41 -53.38 14.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.853 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 17.7 pttp -58.13 -33.12 68.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.273 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.599 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 48.9 mt-10 -80.49 -34.43 35.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.2 t -84.6 -13.65 51.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.1 mmt -104.89 -41.21 5.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -57.51 -25.56 60.0 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.481 -178.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.412 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -61.83 -77.85 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.345 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -134.65 5.5 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.492 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.56 -100.86 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.924 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -169.77 176.38 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 111.095 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 55.99 -169.26 0.09 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.019 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.493 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 35.4 t . . . . . 0 CA--C 1.532 0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.298 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 CA-C-O 120.901 0.292 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.579 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 50.4 pttt -171.66 55.9 0.22 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.586 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.579 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 7.2 Cg_exo -72.66 103.94 1.64 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 26.3 m -153.88 12.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.394 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -120.02 9.02 11.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.721 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.6 p -143.3 -23.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.884 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 30.8 p -83.64 141.17 31.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 24.2 tptm -170.86 -53.29 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.15 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 73.9 Cg_endo -75.96 -53.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.17 1.913 . . . . 0.0 112.526 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.44 -30.19 71.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.197 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.42 -45.26 84.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.14 -42.87 79.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.07 -40.55 96.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -66.25 -43.29 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.98 -46.72 88.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -62.01 -40.82 96.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.0 t -59.92 -42.53 94.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.8 mt -76.89 -22.21 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.987 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -72.64 -44.37 61.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.708 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -87.99 -46.45 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -74.79 -64.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.713 0.292 . . . . 0.0 111.103 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.09 -167.0 24.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -80.86 -12.11 59.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.605 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.83 -76.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 t 62.1 -83.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -157.19 55.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.652 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 59.42 89.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p -103.95 18.09 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -66.92 -6.69 17.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.231 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -53.52 -47.75 69.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.25 -32.68 74.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.44 -50.52 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 12.5 pt-20 -68.1 -26.65 65.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 110.562 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.56 -45.19 76.34 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.483 ' O ' ' HG2' ' A' ' 58' ' ' MET . 86.2 t80 -61.66 -56.06 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.121 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 12.4 ptmm? -53.48 -37.46 62.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.456 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.516 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 42.9 tt0 -66.14 -36.92 84.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.9 t -80.89 -13.8 58.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 93.9 mmm -81.19 -61.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.345 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.63 ' HZ2' ' HB2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -74.99 -6.99 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -68.68 -21.03 74.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.26 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -130.08 -42.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.603 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.02 104.49 2.87 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.435 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -139.16 -77.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 111.072 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -136.49 76.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.593 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 49.8 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.857 0.274 . . . . 0.0 112.052 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.546 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 4.9 tppp? -170.09 -50.64 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.35 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.593 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 87.9 Cg_endo -87.14 164.82 8.5 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.329 2.02 . . . . 0.0 112.687 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.8 t -170.61 9.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.9 m -101.48 10.69 40.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.2 -25.0 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 p -97.05 124.44 41.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.693 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 55.3 mtpt -148.77 -53.88 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.014 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.693 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 25.7 Cg_endo -61.09 -55.74 1.18 Allowed 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.002 1.801 . . . . 0.0 112.879 -179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.39 -34.07 76.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.961 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -66.03 -38.18 87.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.348 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.23 -42.66 79.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.698 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.49 -44.47 97.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -63.1 -50.65 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.04 -42.56 85.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.6 m -62.76 -39.37 93.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 t -64.63 -41.3 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.402 ' O ' ' HA2' ' A' ' 41' ' ' GLY . 69.0 mt -74.55 -23.92 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.08 -47.21 46.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.449 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -80.39 -58.37 3.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.588 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -74.67 -63.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.3 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 37' ' ' ILE . . . 113.98 153.13 10.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.569 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.17 3.25 15.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -103.36 0.73 31.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.008 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -97.44 -71.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.051 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' C ' ' H ' ' A' ' 47' ' ' CYS . 9.2 mm-40 -114.15 7.85 16.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.694 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER 67.1 -8.14 0.46 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.577 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.478 ' H ' ' C ' ' A' ' 45' ' ' GLU . 34.0 t 53.42 20.61 2.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.75 0.31 . . . . 0.0 111.071 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.437 ' HA ' HD11 ' A' ' 51' ' ' ILE . 21.8 ptmt -62.52 -30.87 71.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.259 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -58.5 -46.78 85.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -65.46 -32.65 74.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.437 HD11 ' HA ' ' A' ' 48' ' ' LYS . 68.7 mt -63.42 -55.69 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.371 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.93 -41.12 97.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.357 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -59.04 -57.37 13.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.933 0.397 . . . . 0.0 109.981 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -55.83 -37.12 68.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.074 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -61.32 -56.68 17.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.259 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.3 -21.98 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.337 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -84.33 -25.03 29.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.195 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.1 mmt -100.89 -66.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.538 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -58.35 -43.66 88.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.704 0.288 . . . . 0.0 111.027 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.55 86.58 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.207 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 55.43 71.66 0.53 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 0.0 110.719 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.57 -102.25 1.08 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.682 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -172.16 -31.82 0.01 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 0.0 111.361 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.433 ' HB3' ' HG2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -119.78 173.64 6.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.763 -179.18 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 CA--C 1.533 0.326 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.649 179.786 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 94.8 Cg_endo . . . . . 0 N--CA 1.462 -0.349 0 CA-C-O 121.152 0.397 . . . . 0.0 111.841 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 21.1 ptmt -165.97 47.33 0.15 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.536 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 6.0 Cg_exo -35.58 117.03 0.13 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.773 2.982 . . . . 0.0 112.953 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.477 ' SG ' HG13 ' A' ' 25' ' ' VAL . 1.5 p -96.58 -160.92 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' H ' ' HB2' ' A' ' 23' ' ' CYS . 80.6 m -74.43 -21.87 59.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.969 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.477 HG13 ' SG ' ' A' ' 23' ' ' CYS . 4.8 p -70.93 -6.76 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.915 0.388 . . . . 0.0 111.274 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HG ' ' N ' ' A' ' 23' ' ' CYS . 64.6 m -74.45 -0.9 18.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.19 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.554 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 75.7 mmtt 62.66 161.91 0.12 Allowed Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.377 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 30.9 Cg_endo -63.45 -18.13 63.16 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.636 2.224 . . . . 0.0 112.402 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -46.27 -39.95 10.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.35 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HZ1' ' HB2' ' A' ' 22' ' ' PRO . 37.7 ttpt -62.54 -48.26 80.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.7 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.1 -40.36 85.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.11 -35.45 79.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.729 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -63.33 -52.52 61.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.461 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.8 -42.42 93.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.564 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -61.31 -38.16 85.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.713 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.77 -47.52 80.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.572 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.3 mt -71.9 -20.67 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.227 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 tt -76.69 -48.1 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -86.36 -58.06 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.45 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.78 -63.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.787 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.35 168.69 13.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.672 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -77.57 -13.77 59.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.006 0.431 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -82.71 -23.2 34.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.993 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.6 m -58.03 101.28 0.07 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.431 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 17.4 mm-40 61.16 -94.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.646 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 6.2 mmtm -155.6 -33.35 0.09 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.656 0.265 . . . . 0.0 111.195 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.5 m 56.49 21.7 5.87 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.776 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -72.9 -26.04 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.132 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.7 -39.48 80.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -69.43 -33.98 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.17 -52.84 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.25 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.19 -43.03 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -62.45 -51.41 67.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' MET . 91.7 t80 -54.04 -61.26 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -51.64 -44.11 62.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' HA ' ' HZ2' ' A' ' 59' ' ' LYS . 40.0 tt0 -58.82 -34.14 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.717 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.9 m -83.71 -17.65 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 34.2 mmt -84.67 -71.89 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' HZ2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -71.37 -6.53 40.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.333 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.98 -19.66 65.95 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.15 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -128.13 -51.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.503 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.77 105.77 3.0 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.828 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -170.4 -15.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.729 0.299 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.624 ' HG3' ' H ' ' A' ' 65' ' ' VAL . 3.6 tp10 -152.67 -167.4 2.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.624 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 69.9 t . . . . . 0 N--CA 1.464 0.264 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.162 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.504 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 71.2 Cg_endo . . . . . 0 N--CA 1.464 -0.262 0 CA-C-O 120.683 0.201 . . . . 0.0 112.231 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.627 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 58.7 pttt -173.49 49.4 0.09 OUTLIER Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.378 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.627 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 41.3 Cg_endo -91.67 -75.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.606 2.204 . . . . 0.0 112.466 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.2 t 57.54 17.66 4.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p -111.1 -4.33 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -115.25 6.49 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.39 140.17 46.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.552 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 87.4 tttt -168.84 -51.95 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.26 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.552 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 59.1 Cg_endo -72.45 -53.35 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.121 1.881 . . . . 0.0 112.392 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.46 -33.13 70.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.727 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -68.29 -41.21 81.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.786 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.71 -43.44 93.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.7 -44.58 93.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.91 -55.68 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.449 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.69 -51.41 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.42 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.4 m -53.81 -44.85 70.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -58.97 -49.77 76.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -70.61 -16.88 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.147 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -49.0 18.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.73 -21.22 28.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.789 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -105.05 -64.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.685 0.278 . . . . 0.0 111.303 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.01 174.89 14.4 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -73.49 -13.35 61.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.686 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.72 103.46 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -168.61 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.604 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.15 16.91 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.577 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 12.1 mptt 60.92 90.01 0.07 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 p -81.66 12.71 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.005 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HB2' ' HZ3' ' A' ' 48' ' ' LYS . 4.6 ttmp? -58.56 -24.03 59.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.12 -43.64 95.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.06 -33.3 75.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.07 -58.64 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.79 -34.32 69.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.783 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -66.59 -49.07 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.541 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -56.63 -59.69 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.632 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -49.89 -56.95 8.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.528 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.527 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 11.2 tp10 -59.28 -30.33 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.572 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.02 -13.74 49.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.301 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.577 ' HB3' ' HB3' ' A' ' 64' ' ' GLU . 24.9 mmt -104.92 -18.54 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 56' ' ' GLU . 13.2 pttt -102.81 -36.88 8.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.67 0.271 . . . . 0.0 110.974 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.36 87.76 0.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.806 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 62.03 17.15 8.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.809 0.337 . . . . 0.0 110.698 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.97 -128.92 0.16 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.541 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -175.51 -23.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 111.002 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 0.7 OUTLIER -57.48 -82.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.632 -179.815 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 CA--C 1.53 0.206 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.245 179.81 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo . . . . . 0 N--CA 1.457 -0.673 0 CA-C-O 120.794 0.247 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.583 ' HB2' ' HZ2' ' A' ' 21' ' ' LYS . 10.3 mtmp? 57.59 85.93 0.18 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.444 ' HG3' ' HE2' ' A' ' 30' ' ' LYS . 9.6 Cg_endo -51.45 155.83 6.71 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.869 2.379 . . . . 0.0 112.632 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.42 ' SG ' HG23 ' A' ' 25' ' ' VAL . 2.3 p -115.89 -69.63 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.049 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.1 p -172.7 -31.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG23 ' SG ' ' A' ' 23' ' ' CYS . 23.3 m -59.63 -18.85 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.324 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 m -62.57 117.45 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.595 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.651 ' H ' ' HE1' ' A' ' 58' ' ' MET . 35.4 mmtp -56.67 156.66 11.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.667 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.39 -18.52 14.88 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.924 2.416 . . . . 0.0 112.558 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -46.02 -41.53 12.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HE2' ' HG3' ' A' ' 22' ' ' PRO . 63.5 tttp -60.15 -43.16 95.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.45 -46.48 89.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.812 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.63 -40.38 87.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -61.62 -46.6 89.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.436 . . . . 0.0 110.415 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.417 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 15.6 t70 -55.45 -56.79 16.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.743 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -45.58 64.56 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.692 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 53.7 t -52.87 -43.56 66.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.048 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.49 -25.24 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.835 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 34' ' ' ASP . 73.4 mt -64.64 -53.6 45.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.628 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -91.59 -41.44 10.77 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 36' ' ' CYS . 95.4 m-20 -84.39 -64.32 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.61 -169.09 18.59 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.727 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -99.79 -0.33 40.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.617 0.246 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.5 13.12 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.322 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -56.77 -51.95 66.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.192 0.52 . . . . 0.0 110.186 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 23.5 mm-40 -142.87 -77.46 0.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.05 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 17.0 mmtp -166.67 86.87 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.9 p -99.71 8.61 44.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.64 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -67.44 -23.82 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.801 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -58.93 -45.21 90.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.073 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -61.48 -33.74 74.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.7 -50.4 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -59.82 -40.6 88.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.979 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.61 -39.72 88.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.777 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.456 ' O ' ' HG2' ' A' ' 58' ' ' MET . 75.4 t80 -59.24 -61.41 2.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.325 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -51.34 -50.81 58.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.325 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.3 -39.57 76.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.777 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.29 -10.41 56.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.826 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.651 ' HE1' ' H ' ' A' ' 27' ' ' LYS . 25.9 mmt -104.98 -12.68 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -95.17 -28.32 15.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.764 0.316 . . . . 0.0 111.2 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.1 -77.65 0.84 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.163 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -107.76 14.74 25.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 0.0 110.458 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -81.81 -131.19 1.32 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.72 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 t80 176.57 -31.35 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.745 0.307 . . . . 0.0 110.965 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -105.84 103.77 13.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.491 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.533 0.3 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.83 179.588 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.546 ' HD2' ' HD3' ' A' ' 22' ' ' PRO . 53.5 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 CA-C-O 121.099 0.374 . . . . 0.0 111.748 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.56 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 54.6 pttt -169.03 54.78 0.25 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.909 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.56 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 68.5 Cg_endo -93.24 135.48 1.17 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.167 2.578 . . . . 0.0 113.169 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.464 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 7.5 t -174.11 16.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.9 m -103.11 -12.44 17.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.795 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.406 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 2.2 t -129.47 12.89 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 17.5 p -138.3 153.79 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 23.9 tptm -173.27 -55.05 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.589 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 83.8 Cg_endo -75.9 -35.27 2.62 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.066 1.844 . . . . 0.0 112.703 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.81 -52.03 61.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.306 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -53.73 -39.36 65.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.135 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.78 -38.48 86.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.3 -58.01 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.99 -43.13 86.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -53.91 -55.42 27.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.5 m -54.67 -46.5 74.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 t -56.02 -38.45 70.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.9 mt -74.77 -27.35 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.025 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.92 -38.29 69.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.391 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -89.0 -30.16 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.746 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -98.61 -64.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.663 0.268 . . . . 0.0 111.28 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.65 174.48 13.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.658 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -77.54 -5.05 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 0.0 111.195 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -157.06 95.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.4 t -170.82 117.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.39 20.68 4.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER 59.48 88.82 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.888 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 81.3 m -85.26 12.45 8.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -72.68 -6.82 47.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.55 -45.32 92.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.27 -38.25 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.406 ' O ' ' HB3' ' A' ' 54' ' ' TYR . 71.6 mt -62.66 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.992 0.425 . . . . 0.0 110.812 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.04 -51.74 66.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.565 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -54.12 -36.97 63.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.228 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.457 ' O ' ' HG2' ' A' ' 58' ' ' MET . 16.2 t80 -60.07 -61.2 2.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.818 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.627 ' HB2' ' HZ3' ' A' ' 55' ' ' LYS . 10.3 mtmp? -54.15 -57.06 12.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.708 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.75 -35.35 63.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.2 p -84.81 -14.53 47.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.713 0.292 . . . . 0.0 111.13 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 25.5 mmt -98.42 -73.83 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.754 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -67.57 -6.57 20.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.631 0.253 . . . . 0.0 111.625 -179.63 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.18 -14.1 31.15 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.626 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -137.18 -34.95 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 110.677 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 59' ' ' LYS . . . -167.68 -105.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.234 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 28.4 t80 57.0 174.55 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.807 0.336 . . . . 0.0 111.205 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -107.37 108.7 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.261 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.539 179.615 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.531 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . 52.1 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 CA-C-O 120.979 0.325 . . . . 0.0 111.694 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.531 ' HD2' ' HB2' ' A' ' 20' ' ' PRO . 10.0 mptt -136.55 68.85 60.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.707 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.36 166.06 15.99 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.857 2.371 . . . . 0.0 113.03 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HG ' ' A' ' 26' ' ' CYS . 4.6 t 65.06 -172.97 0.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.024 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t 66.62 0.89 1.97 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 23' ' ' CYS . 14.0 t -141.24 -27.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.431 ' HG ' ' HA ' ' A' ' 23' ' ' CYS . 28.0 p -96.86 138.54 34.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.063 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.526 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 23.8 tptm -172.62 -51.31 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.199 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.526 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.1 Cg_endo -75.31 -43.58 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.055 1.837 . . . . 0.0 112.546 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -64.76 -50.08 68.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -59.75 -36.58 76.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.24 -54.53 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.84 -29.07 69.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.154 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -68.57 -58.24 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -58.29 -36.48 73.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.7 m -64.36 -48.64 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.7 t -58.04 -46.8 84.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.532 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 67.2 mt -62.8 -50.33 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.916 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.45 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.978 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -81.75 -72.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' A' ' 44' ' ' SER . 42.7 m-80 -141.82 38.88 1.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -112.03 -139.38 7.7 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.644 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 71.52 -21.91 0.2 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.46 0.304 . . . . 0.0 111.707 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.489 ' H ' ' C ' ' A' ' 41' ' ' GLY . 4.5 p-10 -173.74 30.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.647 0.26 . . . . 0.0 111.221 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' A' ' 40' ' ' ASN . 69.5 m -129.97 128.48 42.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 110.993 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 60.89 10.11 2.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.318 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm 60.38 91.14 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.077 0.465 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.42 -7.53 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.408 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -60.63 -14.68 21.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.9 -46.96 87.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -62.16 -34.88 77.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.815 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.04 -48.8 84.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.678 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -58.55 -45.32 89.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.595 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -60.01 -40.68 90.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.378 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.418 ' O ' ' HG2' ' A' ' 58' ' ' MET . 80.0 t80 -56.86 -57.11 13.91 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.306 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HZ1' ' HB2' ' A' ' 55' ' ' LYS . 10.1 mtmp? -52.1 -55.49 20.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.544 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.94 -24.37 57.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.91 -24.19 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.181 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.418 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 71.2 mmm -87.33 -57.97 2.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -61.95 -19.24 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.28 -26.96 69.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.311 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -114.62 -59.07 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 110.629 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.26 91.79 1.78 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.73 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -155.08 -54.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.019 0.437 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HB2' ' HE1' ' A' ' 58' ' ' MET . 48.1 mt-10 -106.71 167.62 9.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.651 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 CA--C 1.531 0.248 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.134 -179.875 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.457 -0.663 0 CA-C-O 120.852 0.272 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.523 ' HB2' ' HZ2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -168.77 82.0 0.72 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.978 179.554 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -44.44 122.24 3.73 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.897 2.398 . . . . 0.0 112.995 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' SG ' HG22 ' A' ' 25' ' ' VAL . 1.8 p -98.63 -159.65 0.75 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.034 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.3 p -86.38 -14.64 42.85 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.461 HG22 ' SG ' ' A' ' 23' ' ' CYS . 3.2 m -66.76 -24.14 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 111.023 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.9 p -136.32 131.13 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.602 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 39.6 ttpt -167.02 -50.25 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.397 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 35.3 Cg_exo -60.41 -31.64 92.89 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.024 1.816 . . . . 0.0 112.126 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.34 -51.17 70.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -57.95 -38.82 76.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.179 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.33 -44.18 95.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.66 -43.2 99.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.103 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -60.36 -54.86 40.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.89 -44.9 82.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.293 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.6 m -57.85 -45.58 86.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.177 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.06 -44.19 97.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 42' ' ' GLN . 69.6 mt -71.03 -21.19 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -50.7 14.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.29 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -80.04 -51.77 8.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.666 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.56 -63.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.14 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.03 -178.37 22.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.488 ' HA ' HG22 ' A' ' 37' ' ' ILE . 5.3 pm0 -62.49 -17.13 58.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.797 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -152.85 -80.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.766 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 m 49.0 -90.79 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.473 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -95.22 30.55 2.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.994 0.426 . . . . 0.0 110.53 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 3.3 mptp? 60.77 87.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.147 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.3 m -92.45 10.5 29.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.597 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.27 -23.78 62.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.811 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -52.64 -41.48 63.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -66.04 -32.44 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.249 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.09 -52.73 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.259 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -43.27 99.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.084 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.99 -49.58 76.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -55.82 -61.25 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.041 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -51.06 -53.99 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.625 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.06 -31.12 68.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.66 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.8 m -84.56 -15.26 46.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.738 0.304 . . . . 0.0 111.093 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.565 ' HE1' ' HA ' ' A' ' 58' ' ' MET . 11.5 mmt -92.43 -70.07 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.369 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -21.27 60.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.393 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.74 -56.45 19.02 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.686 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -151.18 -0.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.781 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.51 -106.5 0.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 113.121 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -169.75 179.37 3.73 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 62.4 -172.59 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.699 0.285 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 CA--C 1.533 0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.178 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo . . . . . 0 N--CA 1.461 -0.433 0 CA-C-O 120.75 0.229 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 62.4 90.28 0.09 OUTLIER Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.017 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.89 108.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.795 2.33 . . . . 0.0 112.734 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.437 ' SG ' HG23 ' A' ' 25' ' ' VAL . 2.2 p -61.11 -87.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.74 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.6 m -145.41 -37.79 0.27 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.634 0.254 . . . . 0.0 111.239 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.437 HG23 ' SG ' ' A' ' 23' ' ' CYS . 28.3 m -54.37 -31.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.399 . . . . 0.0 111.134 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -112.8 119.39 37.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.659 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.604 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 88.1 tttt -161.13 -53.06 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.8 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 16.5 Cg_endo -58.26 -42.41 56.63 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.876 1.717 . . . . 0.0 112.263 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.21 -47.36 83.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -58.95 -44.99 91.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -55.97 -46.43 78.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.654 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.84 -40.5 93.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.17 -50.68 72.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -59.67 -33.96 72.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.0 m -64.68 -50.63 66.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.668 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -54.68 -50.03 69.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.228 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.33 -41.12 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.609 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.65 -34.6 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.326 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.57 -75.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.982 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -153.17 12.11 0.48 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.068 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 43' ' ' ASP . . . -63.51 -12.42 46.1 Favored Glycine 0 CA--C 1.511 -0.181 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.994 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.91 4.44 0.64 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.516 0.198 . . . . 0.0 111.245 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' A' ' 41' ' ' GLY . 27.8 t70 -167.09 -36.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.585 0.231 . . . . 0.0 111.436 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -49.12 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.43 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -104.15 8.0 36.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.145 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.427 ' HB3' ' HZ2' ' A' ' 48' ' ' LYS . 13.1 mptt 59.75 11.73 2.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.189 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 46' ' ' LYS . 5.1 p 50.29 20.53 0.66 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.674 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HZ2' ' HB3' ' A' ' 46' ' ' LYS . 62.2 mttp -92.97 -26.64 17.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.43 -46.67 82.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.84 -36.83 84.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.282 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.21 -46.52 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.33 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.67 -48.41 72.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.39 -36.27 71.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.154 0.502 . . . . 0.0 109.984 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -64.35 -59.82 3.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.314 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -55.43 -28.51 54.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.659 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.632 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.4 tt0 -73.06 -43.42 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.681 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -84.49 -9.67 58.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.829 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.534 ' HB3' ' HB3' ' A' ' 63' ' ' PHE . 25.4 mmt -100.58 -30.74 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.632 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 9.1 ptmt -61.63 -21.98 64.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.76 0.314 . . . . 0.0 111.04 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.64 60.77 4.78 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.685 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 56.32 17.83 3.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.68 0.276 . . . . 0.0 111.187 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.68 -25.93 28.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 47.5 t80 -171.62 133.98 0.81 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.786 0.326 . . . . 0.0 110.8 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.52 141.87 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.2 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.572 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.505 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 94.1 Cg_endo . . . . . 0 N--CA 1.458 -0.564 0 CA-C-O 121.092 0.372 . . . . 0.0 112.133 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 54.3 tptt -176.31 79.72 0.28 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.999 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -40.02 92.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.173 2.582 . . . . 0.0 113.417 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.4 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 5.1 m -162.73 177.69 9.13 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.245 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.7 m 62.63 17.35 9.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.697 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 p -168.0 -35.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.726 0.298 . . . . 0.0 111.35 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 28.1 p -76.34 124.42 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 5.1 tmtp? -164.38 -55.04 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.829 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.508 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.0 Cg_endo -76.25 -41.7 0.46 Allowed 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.018 1.812 . . . . 0.0 112.021 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.9 -50.04 73.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.187 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 60.7 pttt -56.28 -34.53 66.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.966 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.7 -49.67 57.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.04 -46.56 89.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -60.94 -39.43 89.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.544 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.65 -45.85 90.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.1 m -59.99 -42.78 94.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.528 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.94 -34.55 77.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.259 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.9 mt -73.78 -28.14 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.347 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -46.69 62.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.981 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -73.24 -51.16 18.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.848 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -74.32 -64.44 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.518 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.12 172.83 26.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.574 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -71.11 -11.78 61.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.661 0.267 . . . . 0.0 111.162 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -167.92 119.04 0.83 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.018 0.437 . . . . 0.0 111.327 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -169.4 11.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.477 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 57.06 27.05 12.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -93.13 -34.13 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.184 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 p -95.07 12.92 26.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.99 -33.13 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -58.63 -40.75 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.032 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -65.11 -33.31 75.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.67 -52.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.64 -45.8 92.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.52 -37.2 77.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.614 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.472 ' O ' ' HG2' ' A' ' 58' ' ' MET . 80.4 t80 -60.98 -58.15 9.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.365 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 67.1 mttm -49.68 -56.06 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.462 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.517 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 12.7 pt-20 -60.57 -29.81 69.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.4 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.0 t -78.96 -17.66 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.743 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.516 ' HE3' ' HA ' ' A' ' 58' ' ' MET . 32.7 mmt -88.03 -66.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.356 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.517 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.33 -15.3 15.42 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.828 0.346 . . . . 0.0 111.164 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.46 53.98 4.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.157 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.2 t80 59.02 85.86 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.911 0.386 . . . . 0.0 110.732 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.89 -36.76 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -156.4 155.05 31.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.364 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 20' ' ' PRO . 11.7 pt-20 -68.01 132.44 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.233 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t . . . . . 0 CA--C 1.533 0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.783 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.2 p -82.82 173.43 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -150.09 146.29 26.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.771 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.6 p -68.93 -64.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -149.32 145.01 26.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -153.09 -51.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.53 119.54 8.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -86.65 134.28 33.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -78.18 -64.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.752 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 59.7 100.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.8 175.12 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -91.55 170.41 9.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -65.97 -68.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.38 -64.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.024 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -168.31 137.91 2.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.4 t 60.37 100.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.192 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -37.47 78.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 t70 60.48 175.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.046 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 62.12 100.39 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.585 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 67.3 Cg_endo -75.14 -80.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.352 2.035 . . . . 0.0 112.166 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.553 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 17.3 ptmt -144.87 55.5 3.14 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.553 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -23.91 91.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 124.981 3.788 . . . . 0.0 113.508 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.448 ' SG ' HG12 ' A' ' 25' ' ' VAL . 24.6 p -67.71 -159.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.167 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.72 -19.99 47.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.973 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.465 HG13 ' HB2' ' A' ' 63' ' ' PHE . 1.2 p -65.49 -18.92 24.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 110.974 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.6 p -126.26 114.89 18.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.679 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 56.1 tptt -161.02 -50.94 0.01 OUTLIER Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.84 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.679 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 19.9 Cg_endo -60.74 -55.51 1.37 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.045 1.83 . . . . 0.0 113.063 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -31.59 65.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.825 0.345 . . . . 0.0 110.776 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -64.35 -44.14 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.275 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.43 -34.77 78.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.359 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.07 -37.09 83.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -68.98 -45.69 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.789 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.39 -44.24 97.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.734 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.9 m -63.89 -40.65 97.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.6 t -61.29 -43.88 98.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.38 -24.38 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -52.4 20.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.297 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -74.64 -42.59 58.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.636 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.77 -64.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 111.299 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 43' ' ' ASP . . . 117.82 20.06 4.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.419 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 65.26 -7.9 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.725 0.298 . . . . 0.0 110.989 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' A' ' 41' ' ' GLY . 6.6 p-10 -83.14 6.95 17.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -109.62 100.32 9.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 58.53 17.66 5.12 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 61.89 7.28 1.97 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.7 t 54.22 24.39 4.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HA ' HD12 ' A' ' 51' ' ' ILE . 39.6 ttpt -70.54 -18.74 62.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.71 -47.48 85.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -68.07 -32.82 73.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 48' ' ' LYS . 80.6 mt -64.85 -44.4 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -69.07 -48.28 63.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -57.48 -37.36 72.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.077 0.465 . . . . 0.0 110.445 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -67.6 -56.62 8.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.394 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -57.78 -27.65 63.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.592 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.6 tt0 -78.9 -34.81 44.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.425 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.5 t -84.49 -14.37 49.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.709 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.422 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . 23.3 mmt -101.04 -39.25 7.81 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.592 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -67.18 -20.09 65.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.503 -179.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.467 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -105.77 97.7 1.32 Allowed Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.592 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 55.64 17.73 2.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -82.89 -94.48 0.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.465 ' HB2' HG13 ' A' ' 25' ' ' VAL . 16.8 t80 -141.64 -90.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.605 0.24 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HG3' ' HG3' ' A' ' 20' ' ' PRO . 10.5 pt-20 -171.52 139.66 1.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 58.8 t -140.37 126.83 11.96 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.678 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.585 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 19.9 Cg_exo -65.54 -59.26 0.15 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.442 2.095 . . . . 0.0 112.272 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.6 m 60.3 -178.12 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.265 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -116.32 -13.15 11.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.093 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.4 mtt . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.735 0.302 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.6 p -128.01 145.41 50.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.56 -73.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 p -142.22 -65.26 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -108.08 115.47 30.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -110.68 -26.46 9.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.124 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -159.37 127.46 4.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.718 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.403 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 35.6 tt0 61.72 105.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.165 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.69 133.2 49.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.984 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -104.06 121.56 43.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -70.22 115.0 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -148.22 143.01 26.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -142.25 -35.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.03 -70.48 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -138.5 -176.98 4.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.3 t 58.02 97.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -120.71 145.64 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.677 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 57.02 -160.3 0.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.654 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 61.53 102.83 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.621 ' HG3' ' H ' ' A' ' 65' ' ' VAL . 23.6 Cg_endo -93.72 20.74 0.66 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 123.097 2.532 . . . . 0.0 111.997 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt 61.48 63.93 2.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.675 -178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.566 ' HD3' ' HD2' ' A' ' 20' ' ' PRO . 32.1 Cg_endo -62.91 115.34 2.88 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.938 2.425 . . . . 0.0 112.417 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.5 m -161.79 17.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.197 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.2 t -108.82 2.52 21.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -159.48 -32.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.602 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.7 p -63.49 140.38 58.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 38.1 ttpt -165.86 -53.38 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.436 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.506 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 70.4 Cg_endo -75.13 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.058 1.839 . . . . 0.0 112.475 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.05 -27.22 68.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.01 -56.38 10.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.24 -40.28 93.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.455 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.55 -45.21 91.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.49 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -63.49 -51.57 64.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.259 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.18 -42.17 80.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.962 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.2 m -62.14 -42.95 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.81 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -61.08 -46.15 91.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.7 mt -71.74 -21.61 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.87 -47.01 41.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -85.55 -57.57 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.461 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -75.12 -63.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.075 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.34 -179.19 16.49 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -77.1 -7.24 55.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -131.37 94.35 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.993 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.0 t -171.16 96.65 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.703 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 56.52 22.72 6.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 59.88 88.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.6 p -83.11 18.56 1.65 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -66.46 -11.31 51.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.163 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.91 -42.5 80.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.013 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -64.08 -44.77 91.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.115 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.04 -56.87 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.252 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -55.11 -40.21 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.6 -41.46 98.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.43 ' O ' ' HG2' ' A' ' 58' ' ' MET . 79.9 t80 -58.87 -58.71 7.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.476 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -52.16 -42.43 63.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 41.4 tt0 -64.76 -32.89 74.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.343 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.2 t -84.3 -16.74 41.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.363 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 96.1 mmm -84.74 -56.65 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.97 -9.8 42.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.663 0.268 . . . . 0.0 111.456 -179.1 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.17 -16.11 59.58 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -123.93 -25.99 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.2 25.95 15.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.315 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -103.17 127.25 50.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.66 0.267 . . . . 0.0 110.548 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 60.36 -165.8 0.2 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.614 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.621 ' H ' ' HG3' ' A' ' 20' ' ' PRO . 40.7 t 64.39 106.23 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.094 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 6.2 Cg_exo -74.6 -23.37 14.78 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.846 2.364 . . . . 0.0 112.331 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.5 p -89.97 144.67 25.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.952 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.98 178.95 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.871 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 t -100.72 138.18 38.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -138.82 -70.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.625 ' HG1' ' H ' ' A' ' 5' ' ' ASP . 24.4 p 42.87 -96.33 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.061 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.625 ' H ' ' HG1' ' A' ' 4' ' ' THR . 29.1 t70 -129.07 164.82 22.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.544 0.212 . . . . 0.0 110.745 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 64.39 118.08 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -153.81 128.35 9.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -90.07 -4.53 57.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.77 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -95.29 126.08 40.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -142.09 116.62 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -79.98 -172.3 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.736 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 61.66 -82.55 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -70.25 99.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.728 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.29 -56.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 62.1 171.27 0.13 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.241 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.5 p -169.16 168.06 10.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.77 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.73 3.74 39.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.87 174.39 5.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.0 tttm 57.3 96.46 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 95.1 Cg_endo -86.73 -66.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.587 2.191 . . . . 0.0 112.183 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 62.6 tttp -172.49 70.81 0.42 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.584 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.47 87.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.842 2.362 . . . . 0.0 113.067 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -168.91 170.95 8.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.786 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.7 m 63.46 5.36 2.06 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.172 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 m -143.67 -32.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.25 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.7 p -79.67 105.09 10.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.198 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.642 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 29.0 mtpp -126.51 -51.8 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.42 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.642 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 15.2 Cg_exo -69.14 -54.58 0.24 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.106 1.871 . . . . 0.0 111.862 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 4.5 tm-20 -56.52 -33.79 66.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.716 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -62.77 -43.19 99.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.622 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -68.71 -35.87 77.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.67 -57.55 7.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -58.09 -42.41 85.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.55 -50.66 72.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -56.3 -40.28 74.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 t -62.51 -43.06 99.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.556 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.66 -32.86 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.17 -44.37 72.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -76.09 -71.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.623 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -74.57 -64.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.436 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.95 168.82 11.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.369 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -95.51 2.56 54.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.89 -1.91 27.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -75.97 -71.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -130.75 18.28 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 13.0 mptt 62.87 5.6 1.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.898 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.8 m 53.22 26.48 5.14 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -63.3 -18.62 63.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.57 -44.05 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -68.17 -38.86 82.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.53 -59.35 4.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.16 -42.3 80.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.635 ' HZ2' ' HB2' ' A' ' 53' ' ' LYS . 4.8 ttmp? -60.62 -35.24 75.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.622 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.431 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 36.0 t80 -65.51 -60.95 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.498 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 59' ' ' LYS . 28.1 mtpp -54.12 -30.98 50.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.746 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 2.2 tm-20 -77.82 -40.88 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.796 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.7 m -84.92 -9.54 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 mmt -104.98 -39.68 6.17 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -61.11 -10.61 6.54 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.89 19.42 11.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.449 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -146.95 -31.69 0.32 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.678 0.275 . . . . 0.0 111.047 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.08 109.08 0.27 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.372 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -135.44 -32.96 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.847 0.356 . . . . 0.0 111.198 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -167.18 -32.11 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.511 ' HA ' ' HG3' ' A' ' 20' ' ' PRO . 1.7 m -47.72 130.96 11.2 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.281 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 19.5 Cg_exo -65.68 -39.78 19.69 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.626 2.218 . . . . 0.0 112.401 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 m -66.84 106.14 1.79 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.966 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -107.6 129.81 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.059 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.906 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.3 p -127.37 149.12 50.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.26 150.42 25.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.6 p -97.82 -65.54 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -133.28 147.99 51.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.64 ' HZ3' ' HB2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -169.82 -17.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -142.65 120.49 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.095 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 61.73 111.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.384 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -68.19 -179.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.711 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -121.13 150.71 40.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.13 108.81 3.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -87.64 99.13 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.819 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -164.35 -76.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.772 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.71 -70.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.99 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -85.78 179.67 7.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.738 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.8 t -144.8 13.63 1.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 55.42 -167.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.7 167.07 9.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.736 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 86.4 tttt 60.06 101.62 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.548 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 51.5 Cg_endo -69.63 -73.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.389 2.06 . . . . 0.0 112.024 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.653 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 23.2 pttm -164.91 49.41 0.21 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.609 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.653 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 35.5 Cg_endo -93.58 -77.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.857 2.371 . . . . 0.0 111.901 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.4 t 54.95 17.08 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.277 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.5 t -111.41 8.28 21.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.51 -29.59 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.128 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.3 127.85 36.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.645 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 50.6 mtpt -142.35 -54.02 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.643 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.645 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.1 Cg_endo -75.25 -52.08 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.079 1.853 . . . . 0.0 112.613 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.99 -35.88 81.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.37 -37.73 85.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.743 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.39 -53.72 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -58.24 -39.66 79.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -64.18 -56.53 14.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.987 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -55.09 -41.84 72.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.5 m -61.26 -45.56 94.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.17 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.1 t -65.27 -32.65 74.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.558 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 93.7 mt -71.86 -35.82 56.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.404 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.3 mt -81.93 -28.46 32.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.613 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -90.04 -64.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -124.45 38.47 4.19 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.558 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -139.58 -154.79 6.42 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.792 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 68.67 -3.93 1.28 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.43 0.292 . . . . 0.0 111.376 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -177.43 -35.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.826 0.345 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.4 m -58.12 -74.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.504 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 47' ' ' CYS . 42.3 mt-10 -113.14 -0.85 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.341 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 67.39 -9.74 0.39 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.87 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.475 ' H ' ' C ' ' A' ' 45' ' ' GLU . 68.7 m 54.3 26.74 7.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.44 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' HA ' HD13 ' A' ' 51' ' ' ILE . 55.6 mtpt -55.23 -26.15 37.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.32 -46.27 84.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -69.12 -34.51 75.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.069 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 48' ' ' LYS . 77.0 mt -63.54 -52.82 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.559 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 12.8 pt-20 -68.93 -41.06 78.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.244 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -59.52 -36.21 75.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.183 0.516 . . . . 0.0 110.088 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.29 -54.09 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.575 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 18.1 pttp -56.72 -31.27 64.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.078 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.554 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 48.5 mt-10 -81.08 -34.96 32.3 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.648 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.1 t -83.54 -9.93 58.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.73 0.3 . . . . 0.0 111.205 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.608 ' HE3' ' HA ' ' A' ' 58' ' ' MET . 19.4 mmt -102.05 -44.27 5.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.554 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.2 -17.09 63.75 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.122 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.435 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -67.19 -52.37 32.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -163.56 10.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.965 0.412 . . . . 0.0 110.615 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.54 -91.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.426 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -178.13 136.9 0.17 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.861 0.362 . . . . 0.0 111.261 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.476 ' HG3' ' HB3' ' A' ' 22' ' ' PRO . 16.3 mm-40 60.25 -123.11 1.03 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.346 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 58.6 t 65.54 130.17 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 O-C-N 123.014 0.196 . . . . 0.0 111.126 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.548 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -83.99 -176.93 2.84 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.848 2.366 . . . . 0.0 112.281 -179.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.7 p 48.23 91.27 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.649 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.5 80.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.1 m120 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.746 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.671 0.272 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 51.5 m 60.26 105.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.376 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -79.61 150.37 31.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.7 p -70.96 150.44 45.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.201 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -166.14 109.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.451 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.493 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -98.5 90.92 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.208 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt 49.62 97.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.884 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -125.95 102.86 7.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.744 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -168.49 2.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -67.84 107.25 2.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.994 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -118.54 -37.56 3.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 66.49 135.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -68.56 -8.73 44.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.164 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.27 111.44 9.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -111.56 158.55 19.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m 60.55 97.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.69 170.0 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -145.47 -179.22 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.1 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt 59.21 99.71 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.231 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 42.8 Cg_endo -87.72 29.48 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.859 2.372 . . . . 0.0 111.853 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm 60.79 70.72 0.92 Allowed Pre-proline 0 C--N 1.33 -0.267 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.44 96.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.912 2.408 . . . . 0.0 112.7 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.5 m -167.0 20.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.4 m -111.01 4.0 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.422 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -168.45 -27.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.517 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.24 125.72 24.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.985 0.421 . . . . 0.0 111.058 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.624 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 28.8 mtpp -141.85 -55.57 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.355 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.624 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 87.7 Cg_endo -75.74 -27.35 8.93 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.18 1.92 . . . . 0.0 112.186 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.58 -36.78 85.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -67.96 -36.98 81.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.114 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.03 -49.23 59.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.783 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.01 -52.32 64.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.023 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -56.51 -43.91 80.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.1 -43.66 87.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -58.61 -44.99 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.52 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -60.94 -38.31 85.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.712 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.412 HG23 ' HA ' ' A' ' 42' ' ' GLN . 77.2 mt -72.04 -26.14 24.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 tt -72.2 -48.7 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -77.17 -57.35 3.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.713 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -74.72 -64.05 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.431 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.07 -178.45 23.76 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.412 ' HA ' HG23 ' A' ' 37' ' ' ILE . 78.1 mt-30 -76.39 -5.46 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.666 0.27 . . . . 0.0 111.044 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -165.83 118.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.26 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.8 t -171.49 20.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.46 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 61.54 24.36 14.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.66 -36.33 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.233 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.41 ' O ' HG13 ' A' ' 51' ' ' ILE . 71.7 m -77.66 -22.37 50.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.17 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.619 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 8.6 mtpm? -53.89 -33.35 56.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.85 -43.14 84.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.048 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -67.82 -34.75 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 47' ' ' CYS . 70.9 mt -64.61 -56.28 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -59.82 -37.99 80.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.685 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.75 -38.66 91.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.525 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.44 ' O ' ' HG2' ' A' ' 58' ' ' MET . 70.8 t80 -63.74 -57.14 10.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.592 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -55.61 -34.71 65.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.492 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.591 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.2 tt0 -77.49 -32.97 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.696 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.6 t -85.48 -12.84 50.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 87.5 mmm -104.32 -37.78 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.591 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -65.26 -7.17 11.91 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.315 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -54.4 -31.96 51.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.523 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.35 -19.87 3.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.776 0.322 . . . . 0.0 110.853 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.16 84.31 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.623 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -85.07 -34.6 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.096 0.475 . . . . 0.0 110.546 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' PRO . 14.2 mm-40 -153.12 -22.07 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HA ' ' HG3' ' A' ' 20' ' ' PRO . 45.2 t -47.21 113.14 2.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.485 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 20' ' ' PRO . 22.7 Cg_exo -64.73 -63.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.584 2.189 . . . . 0.0 112.343 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.7 m -120.17 163.44 17.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.71 154.92 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.766 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.721 0.296 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -126.91 -16.58 5.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -91.94 110.22 21.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.1 p -97.02 173.58 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -138.14 120.68 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -96.77 -37.0 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -167.63 126.73 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -76.66 171.65 14.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -126.28 -62.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -143.17 106.86 4.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -117.48 -40.75 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.653 HD21 ' H ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -121.23 175.95 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.386 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.653 ' H ' HD21 ' A' ' 12' ' ' ASN . 80.4 m-70 57.38 92.79 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.886 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.9 2.16 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.436 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.2 149.61 30.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m 56.94 28.01 14.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.095 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -87.03 -42.45 13.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.072 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.406 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 4.7 p-10 -123.49 -175.5 3.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.151 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' H ' HG22 ' A' ' 65' ' ' VAL . 21.0 pttp 39.82 101.26 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.57 0 O-C-N 123.786 0.679 . . . . 0.0 112.394 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.694 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 60.9 Cg_endo -72.68 -38.89 2.87 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.243 1.962 . . . . 0.0 112.124 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 57.5 tptt -165.94 -50.23 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.591 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.604 ' HD3' ' HB3' ' A' ' 21' ' ' LYS . 5.4 Cg_exo -74.36 -22.59 16.18 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.292 1.994 . . . . 0.0 112.48 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.58 ' HG ' ' H ' ' A' ' 25' ' ' VAL . 3.0 p 52.17 17.9 0.78 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.544 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.8 m 59.32 7.77 0.99 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.739 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.58 ' H ' ' HG ' ' A' ' 23' ' ' CYS . 16.7 t 58.33 100.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.878 0.371 . . . . 0.0 111.153 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -120.79 160.85 22.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.11 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 39.3 ttpt -171.37 -52.24 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.251 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.531 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 58.6 Cg_endo -71.29 -54.79 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.052 1.835 . . . . 0.0 112.422 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -57.82 -45.24 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.33 -37.48 85.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.34 -40.15 95.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.26 -41.77 93.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.463 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -62.38 -45.49 92.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.04 -44.73 94.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.6 m -58.65 -46.19 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.803 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -56.67 -50.46 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.15 -22.46 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tt -72.76 -41.63 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -78.15 -63.53 1.37 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.241 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 44' ' ' SER . 2.5 p30 -90.41 -62.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.389 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.34 -171.87 18.08 Favored Glycine 0 N--CA 1.453 -0.172 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -89.14 -8.69 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.677 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -99.94 7.07 45.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.764 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.518 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . 87.6 p -68.72 -150.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.2 37.77 0.27 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 44' ' ' SER . 75.4 mmtt 63.75 92.89 0.06 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.008 0.432 . . . . 0.0 111.247 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.27 26.49 1.63 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.678 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -63.3 -10.44 16.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.252 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.11 -41.75 75.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -70.24 -34.15 72.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.2 -53.9 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.32 -46.26 90.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.789 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -58.43 -42.12 86.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.329 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 58' ' ' MET . 79.8 t80 -56.35 -54.77 41.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.977 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -54.67 -45.5 73.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.613 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.74 -35.85 66.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.446 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t -78.25 -23.69 47.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.464 ' HE3' ' HA ' ' A' ' 58' ' ' MET . 33.6 mmt -69.89 -58.44 3.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.497 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -17.79 53.03 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.091 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.71 83.32 1.6 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 33.1 t80 59.92 17.21 6.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.949 0.404 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.44 -93.92 0.02 OUTLIER Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -164.71 -66.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.0 0.429 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -163.93 124.24 2.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.043 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.53 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -158.71 152.03 18.86 Favored Pre-proline 0 CA--C 1.533 0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.575 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.694 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 2.7 Cg_endo -81.24 121.14 3.83 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.884 2.389 . . . . 0.0 112.187 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.0 t -164.57 118.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.85 -176.76 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.015 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.3 m -136.13 -67.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -167.27 -58.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.585 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.7 p -102.79 142.95 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -131.0 10.88 5.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 tptp 62.93 -82.97 0.02 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -67.83 100.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.846 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -120.8 171.93 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -123.19 164.93 17.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.695 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -130.39 105.21 7.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.44 178.3 8.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.971 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -141.87 100.41 3.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -143.51 136.04 27.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.627 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.99 -70.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -152.64 144.99 24.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.043 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.7 t -87.14 123.58 32.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.767 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -148.85 128.15 12.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.512 ' N ' ' HG2' ' A' ' 66' ' ' PRO . 18.6 t70 64.43 115.11 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.213 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt 60.85 98.84 0.04 OUTLIER Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.515 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 58.7 Cg_endo -72.93 -72.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.391 2.061 . . . . 0.0 112.411 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.601 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 8.5 ptpp? -161.09 52.13 0.39 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.68 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.601 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 41.9 Cg_endo -94.28 -70.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.917 2.411 . . . . 0.0 111.964 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.501 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 5.9 t 54.13 23.64 4.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.179 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -112.91 -2.66 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.618 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG22 ' HE3' ' A' ' 58' ' ' MET . 14.5 m -139.27 -0.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.57 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 32.1 p -116.75 114.92 24.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.614 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 62.3 mttp -147.0 -55.4 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.558 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.614 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.6 Cg_endo -75.79 -33.54 3.78 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.131 1.887 . . . . 0.0 112.759 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -53.56 -42.31 67.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.73 -35.61 80.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.01 -43.76 70.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.45 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -64.34 -54.26 35.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.6 -43.42 68.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.8 m -63.73 -38.16 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.688 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -60.47 -46.43 90.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.21 -29.73 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.63 -44.16 78.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.435 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -84.44 -52.65 6.0 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -74.22 -63.09 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.296 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.62 173.71 23.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.838 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -58.45 -18.47 28.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.685 0.279 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -170.78 118.06 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.2 m -150.12 36.69 0.68 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.368 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 64.74 26.49 13.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.338 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -124.48 -28.87 3.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.4 m -58.86 -43.82 90.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.33 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -67.01 -25.4 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.201 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.98 -47.15 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.129 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -67.37 -36.7 81.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.394 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.89 -56.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.089 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.92 -37.46 79.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -60.71 -43.72 97.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.256 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.416 ' O ' ' HG2' ' A' ' 58' ' ' MET . 72.7 t80 -61.39 -61.22 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.739 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -50.45 -51.65 45.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.44 -35.28 71.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.436 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.4 t -84.95 -10.37 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.514 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.49 ' HE3' HG22 ' A' ' 25' ' ' VAL . 88.6 mmm -101.82 -26.55 13.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -87.41 -36.19 17.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.825 0.345 . . . . 0.0 110.943 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.16 88.97 1.59 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.802 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 59.25 20.88 9.0 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.897 0.379 . . . . 0.0 110.403 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.72 -97.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.733 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -166.47 -76.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.917 0.389 . . . . 0.0 111.455 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 9.7 tp10 -137.0 127.56 26.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.664 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.19 157.79 32.38 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.696 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.515 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 8.3 Cg_exo -72.57 154.41 54.96 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.633 2.222 . . . . 0.0 112.428 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 t -172.02 169.33 5.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.736 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 57.64 97.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.467 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 t30 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.033 179.847 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 161.17 21.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.239 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.56 -178.14 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.0 p -64.66 -64.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -142.45 161.23 38.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.667 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -133.05 -65.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.722 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 4.1 mptp? -65.58 106.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.671 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' HG2' ' HG3' ' A' ' 9' ' ' GLU . 62.2 tt0 -140.97 -58.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HG3' ' HG2' ' A' ' 8' ' ' GLN . 44.6 mt-10 -130.33 8.04 5.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.02 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 60.36 104.58 0.02 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.181 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 57.8 -166.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -82.89 6.73 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -60.1 124.99 21.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.77 -11.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.286 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 63.93 158.82 0.09 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.0 t -138.96 110.67 7.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -134.97 -177.8 4.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -139.13 145.24 39.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.015 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' A' ' 23' ' ' CYS . 12.0 mmmm 55.31 89.59 0.1 Allowed Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.672 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 36.9 Cg_endo -72.89 -39.79 2.18 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.159 1.906 . . . . 0.0 112.301 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' H ' ' HD2' ' A' ' 22' ' ' PRO . 4.5 tppp? 179.63 -47.5 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.89 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.672 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 86.0 Cg_endo -78.32 -113.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.309 2.006 . . . . 0.0 112.653 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.44 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . 36.7 t 54.15 25.45 5.69 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.3 t -112.89 -29.51 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.359 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.78 -31.44 44.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.178 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.5 p -60.75 146.65 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.583 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 64.0 tttp -167.38 -50.22 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.395 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 34.1 Cg_exo -60.0 -54.43 2.31 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.022 1.814 . . . . 0.0 112.137 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.82 -29.98 69.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -65.97 -43.11 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.363 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.63 -39.92 84.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.751 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.71 -54.65 39.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.5 ' O ' HG12 ' A' ' 37' ' ' ILE . 74.6 ttt180 -55.6 -48.99 73.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.727 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.59 -47.13 67.1 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.661 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.6 m -58.43 -40.93 83.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.276 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.5 t -67.94 -29.05 68.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.531 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 33' ' ' ARG . 33.5 mm -68.2 -44.94 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.1 mt -76.46 -28.31 56.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.66 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -86.33 -20.76 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -121.38 -64.7 1.2 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.665 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 37' ' ' ILE . . . -178.57 175.18 47.23 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.689 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' HA ' HG22 ' A' ' 37' ' ' ILE . 6.3 tp-100 -55.87 -18.83 9.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.69 0.281 . . . . 0.0 111.095 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -165.35 -45.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.3 p 48.42 -159.49 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.263 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -121.5 -2.36 9.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 3.2 mptp? -104.26 1.96 31.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.7 t -114.2 -16.52 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.999 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.645 ' HB3' ' HZ3' ' A' ' 48' ' ' LYS . 7.8 mtpm? -61.87 -23.26 66.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.27 -46.99 84.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -66.76 -32.78 74.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 48' ' ' LYS . 57.6 mt -66.32 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 111.341 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.2 -40.76 82.44 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.994 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.31 -40.58 96.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.226 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -59.8 -60.78 3.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 59' ' ' LYS . 65.0 mttm -50.78 -57.69 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.559 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.26 -34.65 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.413 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -84.87 -14.8 46.73 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.439 ' HB2' ' HG3' ' A' ' 64' ' ' GLU . 97.1 mmm -104.93 -11.41 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' HZ1' ' HA ' ' A' ' 68' ' ' ALA . 10.5 ptmt -100.6 -14.66 18.08 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.298 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.5 -63.87 4.7 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.234 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -143.34 13.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.512 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.55 -125.1 5.47 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.776 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.429 ' HB3' ' HB2' ' A' ' 22' ' ' PRO . 96.7 m-85 -143.27 134.59 26.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.654 0.264 . . . . 0.0 110.893 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 58' ' ' MET . 0.1 OUTLIER -173.57 -174.74 1.02 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.055 0.455 . . . . 0.0 111.371 179.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.482 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 30.0 m -58.84 162.8 6.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.403 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.597 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 1.6 Cg_endo -82.96 -20.77 5.1 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.985 2.457 . . . . 0.0 112.466 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.7 t -68.52 159.52 31.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.237 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.499 ' HA ' ' HZ1' ' A' ' 59' ' ' LYS . . . -161.86 109.89 1.43 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.916 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.7 p -130.52 -47.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.4 178.6 7.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.747 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.1 p -133.7 150.87 51.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.5 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -146.85 102.86 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.679 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -124.55 154.01 41.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.79 101.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 55.45 95.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -107.11 124.97 50.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -151.2 111.54 4.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.786 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 63.42 116.27 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.254 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -113.64 139.54 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -133.6 123.74 25.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.713 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.42 -40.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.423 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.6 156.0 34.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.3 m 63.51 110.95 0.03 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -143.67 -64.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.992 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.58 ' HB2' ' HZ1' ' A' ' 19' ' ' LYS . 16.6 m-20 -119.59 165.92 13.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.58 ' HZ1' ' HB2' ' A' ' 18' ' ' ASP . 4.1 mppt? 60.31 106.79 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.067 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.581 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 57.8 Cg_endo -71.23 -78.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.212 1.941 . . . . 0.0 112.554 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HB2' ' HD3' ' A' ' 22' ' ' PRO . 49.2 mmtm -110.16 -49.99 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.844 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.581 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 88.6 Cg_exo -48.28 -81.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.325 2.017 . . . . 0.0 113.031 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.504 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 21.0 t 52.68 21.1 1.75 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.859 0.361 . . . . 0.0 111.174 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.0 t -106.32 -32.17 8.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.227 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 t -84.21 53.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.44 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.8 p -168.87 112.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.679 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 99.6 mttt -136.25 -54.27 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.605 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.679 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 58.7 Cg_endo -71.87 -52.76 0.19 Allowed 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.903 1.735 . . . . 0.0 112.1 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.33 -34.95 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.642 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -65.39 -51.42 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.761 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -59.38 -49.55 77.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.265 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.09 -39.23 81.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -62.01 -56.61 17.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.88 -35.93 67.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -61.63 -50.3 73.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.1 t -57.83 -44.14 86.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.786 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.6 mt -69.93 -23.77 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.24 -52.49 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -80.87 -54.66 5.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.845 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -74.74 -64.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.647 0.26 . . . . 0.0 111.305 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.52 179.4 17.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.571 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -62.23 -20.04 63.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.718 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -145.32 -87.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 t 56.24 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -110.53 43.0 1.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 58.98 86.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.008 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.61 9.56 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -76.23 -6.96 53.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.736 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -43.9 82.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.53 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -65.04 -32.68 74.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.747 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.3 mt -64.51 -53.58 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.69 -45.26 92.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.95 -37.02 83.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.416 ' O ' ' HG2' ' A' ' 58' ' ' MET . 81.3 t80 -62.37 -61.91 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 93.6 mttt -56.98 -34.31 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.63 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.558 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 37.3 tt0 -62.77 -45.66 91.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.382 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.1 m -84.81 -9.34 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.574 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.467 ' HB3' ' HB3' ' A' ' 63' ' ' PHE . 26.3 mmt -101.71 -14.27 17.43 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.558 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 8.2 pttp -90.96 -17.21 26.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.05 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.83 -10.89 41.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.65 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -99.74 -33.11 10.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.8 70.33 0.35 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.607 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.467 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 67.2 t80 -142.59 113.77 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.23 130.5 37.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.473 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 15.3 m -118.57 164.06 22.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.57 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 23.4 Cg_exo -65.18 -27.01 56.74 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.392 2.061 . . . . 0.0 112.432 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.6 p -78.28 131.25 36.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -116.92 99.38 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.25 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.819 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -100.93 -61.51 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -85.98 -35.71 20.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.6 p -93.94 158.54 15.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.256 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.18 161.2 28.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -65.22 100.0 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.07 128.71 36.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.115 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -136.89 -52.86 0.7 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.735 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.67 -24.01 67.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.688 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -69.65 135.29 49.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -96.38 4.83 51.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.87 106.95 2.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -139.74 -49.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.27 -42.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -101.44 112.72 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.6 p -131.44 108.25 9.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.737 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -108.42 -50.91 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.051 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -126.54 159.77 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.717 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.6 tttp 56.98 93.69 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.497 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 98.1 Cg_endo -90.0 -60.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.789 2.326 . . . . 0.0 112.262 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.524 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 20.9 pttp -175.53 57.06 0.17 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.392 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 31.4 Cg_exo -58.42 85.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.691 2.26 . . . . 0.0 112.637 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -171.62 86.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.2 t -174.07 -32.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.759 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.2 p -133.84 -19.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.3 p -60.74 126.36 27.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.708 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 67.9 mttm -135.74 -54.26 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.776 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.708 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 54.6 Cg_endo -69.27 -55.02 0.21 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.034 1.823 . . . . 0.0 112.825 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.81 -40.49 97.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.004 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.69 -34.71 78.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.07 -45.67 69.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.49 -44.51 96.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.721 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -63.3 -42.43 99.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.745 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.47 -39.67 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -63.6 -45.02 92.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.84 -49.42 77.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.657 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.517 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 81.7 mt -61.12 -34.17 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.087 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 tp -73.7 -29.03 62.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -75.73 -67.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.413 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -153.3 12.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.235 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -69.88 -158.37 2.07 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.74 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 72.16 -22.58 0.21 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 122.61 0.364 . . . . 0.0 111.152 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' A' ' 41' ' ' GLY . 5.6 p-10 -176.29 78.28 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.7 t -170.97 -56.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' A' ' 47' ' ' CYS . 42.6 mt-10 -116.85 12.5 14.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 35.4 mmtp 71.99 -25.82 0.18 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.831 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.492 ' H ' ' C ' ' A' ' 45' ' ' GLU . 83.5 m 56.67 20.79 5.29 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.682 0.277 . . . . 0.0 111.382 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HG3' ' HB3' ' A' ' 46' ' ' LYS . 52.7 mtmt -85.52 -11.47 54.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.761 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.63 -47.01 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -69.51 -37.02 76.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.067 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.72 -51.33 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 46.4 mt-10 -68.63 -37.62 79.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.549 ' HB2' ' HZ3' ' A' ' 53' ' ' LYS . 4.4 ttmp? -61.52 -33.87 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.273 0.559 . . . . 0.0 109.673 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -71.41 -53.38 14.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.853 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 17.7 pttp -58.13 -33.12 68.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.273 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.599 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 48.9 mt-10 -80.49 -34.43 35.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.2 t -84.6 -13.65 51.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.1 mmt -104.89 -41.21 5.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -57.51 -25.56 60.0 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.481 -178.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.412 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -61.83 -77.85 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.345 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -134.65 5.5 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.492 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.56 -100.86 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.924 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -169.77 176.38 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 111.095 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 55.99 -169.26 0.09 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.019 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.493 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 35.4 t 64.4 120.6 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.298 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.497 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 71.0 Cg_endo -91.83 157.06 3.41 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.851 2.367 . . . . 0.0 112.444 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.3 m -84.17 156.42 22.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.48 155.63 28.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.064 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.7 t30 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.808 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.828 0.347 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.8 m -106.51 -58.15 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -100.64 121.44 41.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.6 p -90.06 -174.8 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.72 106.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.192 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -131.38 -69.55 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -74.72 116.66 15.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.459 ' H ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -62.66 147.25 50.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -108.57 -7.11 15.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -103.31 134.77 46.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.024 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -86.57 178.35 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.514 ' N ' HD21 ' A' ' 12' ' ' ASN . 0.9 OUTLIER 61.13 101.19 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.087 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -87.28 152.23 22.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.08 -46.24 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 64.06 148.55 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.024 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -100.79 110.57 22.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -130.54 -173.52 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.33 156.38 39.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.992 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 61.05 104.58 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.172 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.619 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 58.8 Cg_endo -91.95 -61.17 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.922 2.414 . . . . 0.0 112.178 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.579 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 50.4 pttt -171.66 55.9 0.22 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.586 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.579 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 7.2 Cg_exo -72.66 103.94 1.64 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 26.3 m -153.88 12.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.394 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -120.02 9.02 11.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.721 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.6 p -143.3 -23.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.884 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 30.8 p -83.64 141.17 31.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 24.2 tptm -170.86 -53.29 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.15 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 73.9 Cg_endo -75.96 -53.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.17 1.913 . . . . 0.0 112.526 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.44 -30.19 71.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.197 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.42 -45.26 84.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.14 -42.87 79.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.07 -40.55 96.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -66.25 -43.29 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.98 -46.72 88.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -62.01 -40.82 96.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.0 t -59.92 -42.53 94.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.8 mt -76.89 -22.21 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.987 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -72.64 -44.37 61.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.708 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -87.99 -46.45 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -74.79 -64.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.713 0.292 . . . . 0.0 111.103 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.09 -167.0 24.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -80.86 -12.11 59.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.605 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.83 -76.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 t 62.1 -83.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -157.19 55.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.652 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 59.42 89.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p -103.95 18.09 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -66.92 -6.69 17.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.231 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -53.52 -47.75 69.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.25 -32.68 74.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.44 -50.52 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 12.5 pt-20 -68.1 -26.65 65.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 110.562 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.56 -45.19 76.34 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.483 ' O ' ' HG2' ' A' ' 58' ' ' MET . 86.2 t80 -61.66 -56.06 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.121 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 12.4 ptmm? -53.48 -37.46 62.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.456 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.516 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 42.9 tt0 -66.14 -36.92 84.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.9 t -80.89 -13.8 58.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 93.9 mmm -81.19 -61.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.345 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.63 ' HZ2' ' HB2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -74.99 -6.99 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.459 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -68.68 -21.03 74.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.26 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -130.08 -42.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.603 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.02 104.49 2.87 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.435 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -139.16 -77.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 111.072 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -136.49 76.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -138.89 134.47 17.03 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.619 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -84.47 140.12 8.24 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.941 2.428 . . . . 0.0 112.169 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.4 p -169.88 174.0 5.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.002 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.62 -1.95 0.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.956 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.0 mtm . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.911 0.386 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t -117.48 147.07 43.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.211 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.93 104.61 5.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.4 p -79.32 143.24 35.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -163.31 127.04 2.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.332 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -142.24 -68.08 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.702 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -69.56 121.11 16.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.17 170.67 7.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -76.85 142.19 40.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.53 130.21 43.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.762 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -124.51 -65.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -80.08 126.96 31.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.981 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -91.42 -45.38 8.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.15 119.52 5.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -92.29 -175.01 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.49 145.68 47.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.41 19.92 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.962 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -134.48 17.5 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.987 0.422 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -171.89 114.9 0.41 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.758 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.593 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 49.8 Cg_endo -69.69 -38.24 8.22 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.217 1.944 . . . . 0.0 112.052 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 4.9 tppp? -170.09 -50.64 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.35 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.593 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 87.9 Cg_endo -87.14 164.82 8.5 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.329 2.02 . . . . 0.0 112.687 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.8 t -170.61 9.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.9 m -101.48 10.69 40.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.2 -25.0 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 p -97.05 124.44 41.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.693 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 55.3 mtpt -148.77 -53.88 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.014 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.693 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 25.7 Cg_endo -61.09 -55.74 1.18 Allowed 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.002 1.801 . . . . 0.0 112.879 -179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.39 -34.07 76.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.961 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -66.03 -38.18 87.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.348 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.23 -42.66 79.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.698 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.49 -44.47 97.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -63.1 -50.65 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.04 -42.56 85.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.6 m -62.76 -39.37 93.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 t -64.63 -41.3 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.402 ' O ' ' HA2' ' A' ' 41' ' ' GLY . 69.0 mt -74.55 -23.92 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.08 -47.21 46.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.449 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -80.39 -58.37 3.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.588 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -74.67 -63.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.3 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 37' ' ' ILE . . . 113.98 153.13 10.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.569 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.17 3.25 15.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -103.36 0.73 31.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.008 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -97.44 -71.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.051 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' C ' ' H ' ' A' ' 47' ' ' CYS . 9.2 mm-40 -114.15 7.85 16.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.694 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER 67.1 -8.14 0.46 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.577 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.478 ' H ' ' C ' ' A' ' 45' ' ' GLU . 34.0 t 53.42 20.61 2.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.75 0.31 . . . . 0.0 111.071 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' HA ' HD11 ' A' ' 51' ' ' ILE . 21.8 ptmt -62.52 -30.87 71.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.259 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -58.5 -46.78 85.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -65.46 -32.65 74.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.437 HD11 ' HA ' ' A' ' 48' ' ' LYS . 68.7 mt -63.42 -55.69 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.371 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.93 -41.12 97.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.357 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -59.04 -57.37 13.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.933 0.397 . . . . 0.0 109.981 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -55.83 -37.12 68.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.074 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -61.32 -56.68 17.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.259 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.3 -21.98 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.337 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -84.33 -25.03 29.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.195 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.1 mmt -100.89 -66.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.538 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -58.35 -43.66 88.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.704 0.288 . . . . 0.0 111.027 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.55 86.58 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.207 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 55.43 71.66 0.53 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 0.0 110.719 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.57 -102.25 1.08 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.682 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -172.16 -31.82 0.01 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 0.0 111.361 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.433 ' HB3' ' HG2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -119.78 173.64 6.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.763 -179.18 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.466 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 58.0 t 65.98 132.2 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.649 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 7.3 Cg_exo -74.58 -163.24 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.014 2.476 . . . . 0.0 112.27 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.6 t -117.92 109.29 16.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.21 -12.23 15.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.846 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.7 p -83.08 -51.84 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.253 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.53 103.51 3.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.01 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.5 p -83.01 -64.67 1.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.075 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.38 119.55 23.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -144.77 -59.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 7' ' ' LYS . 3.7 mppt? -62.79 117.77 6.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -85.48 -174.81 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.6 -27.83 65.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 60.26 -175.19 0.11 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.83 158.06 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -94.46 14.37 20.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m80 60.5 98.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.75 -21.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.22 158.0 35.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 p -78.27 158.03 29.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -122.52 -27.5 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.494 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -115.31 -170.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.639 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 pttm 37.92 86.9 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.82 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.634 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 94.8 Cg_endo -84.18 -46.48 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.684 2.256 . . . . 0.0 111.841 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 21.1 ptmt -165.97 47.33 0.15 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.536 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 6.0 Cg_exo -35.58 117.03 0.13 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.773 2.982 . . . . 0.0 112.953 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.477 ' SG ' HG13 ' A' ' 25' ' ' VAL . 1.5 p -96.58 -160.92 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' H ' ' HB2' ' A' ' 23' ' ' CYS . 80.6 m -74.43 -21.87 59.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.969 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.477 HG13 ' SG ' ' A' ' 23' ' ' CYS . 4.8 p -70.93 -6.76 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.915 0.388 . . . . 0.0 111.274 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HG ' ' N ' ' A' ' 23' ' ' CYS . 64.6 m -74.45 -0.9 18.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.19 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.554 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 75.7 mmtt 62.66 161.91 0.12 Allowed Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.377 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 30.9 Cg_endo -63.45 -18.13 63.16 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.636 2.224 . . . . 0.0 112.402 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -46.27 -39.95 10.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.35 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HZ1' ' HB2' ' A' ' 22' ' ' PRO . 37.7 ttpt -62.54 -48.26 80.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.7 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.1 -40.36 85.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.11 -35.45 79.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.729 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -63.33 -52.52 61.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.461 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.8 -42.42 93.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.564 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -61.31 -38.16 85.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.713 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.77 -47.52 80.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.572 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.3 mt -71.9 -20.67 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.227 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 tt -76.69 -48.1 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -86.36 -58.06 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.45 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.78 -63.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.787 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.35 168.69 13.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.672 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -77.57 -13.77 59.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.006 0.431 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -82.71 -23.2 34.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.993 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.6 m -58.03 101.28 0.07 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.431 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 17.4 mm-40 61.16 -94.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.646 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 6.2 mmtm -155.6 -33.35 0.09 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.656 0.265 . . . . 0.0 111.195 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.5 m 56.49 21.7 5.87 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.776 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -72.9 -26.04 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.132 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.7 -39.48 80.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -69.43 -33.98 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.17 -52.84 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.25 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.19 -43.03 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -62.45 -51.41 67.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' MET . 91.7 t80 -54.04 -61.26 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -51.64 -44.11 62.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' HA ' ' HZ2' ' A' ' 59' ' ' LYS . 40.0 tt0 -58.82 -34.14 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.717 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.9 m -83.71 -17.65 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 34.2 mmt -84.67 -71.89 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' HZ2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -71.37 -6.53 40.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.333 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.98 -19.66 65.95 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.15 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -128.13 -51.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.503 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.77 105.77 3.0 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.828 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -170.4 -15.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.729 0.299 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.624 ' HG3' ' H ' ' A' ' 65' ' ' VAL . 3.6 tp10 -152.67 -167.4 2.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.624 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 69.9 t 67.6 131.87 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.264 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.162 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.634 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 5.3 Cg_exo -77.46 -23.94 9.54 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.633 2.222 . . . . 0.0 112.148 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.432 ' H ' HG12 ' A' ' 65' ' ' VAL . 53.6 m -87.66 138.47 31.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.225 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 60.36 99.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.364 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.927 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.775 0.321 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.5 p -74.55 145.78 43.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -85.76 -71.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.699 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.9 p -136.12 -64.55 0.61 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 55.44 21.34 4.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -63.42 149.76 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.788 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.55 ' H ' ' HD3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.08 134.59 44.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.095 -179.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -119.6 173.96 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -69.65 177.67 2.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.25 151.56 47.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.002 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.06 168.82 8.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.55 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 57.6 -161.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -57.99 157.04 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.95 5.66 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 60.5 178.67 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.71 109.55 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -129.03 15.7 6.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.766 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 63.02 154.29 0.04 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.674 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' N ' ' HD3' ' A' ' 66' ' ' PRO . 64.7 tttp 57.29 93.72 0.05 OUTLIER Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.232 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.537 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 71.2 Cg_endo -76.59 -80.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.371 2.047 . . . . 0.0 112.231 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.627 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 58.7 pttt -173.49 49.4 0.09 OUTLIER Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.378 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.627 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 41.3 Cg_endo -91.67 -75.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.606 2.204 . . . . 0.0 112.466 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.2 t 57.54 17.66 4.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p -111.1 -4.33 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -115.25 6.49 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.39 140.17 46.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.552 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 87.4 tttt -168.84 -51.95 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.26 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.552 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 59.1 Cg_endo -72.45 -53.35 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.121 1.881 . . . . 0.0 112.392 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.46 -33.13 70.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.727 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -68.29 -41.21 81.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.786 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.71 -43.44 93.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.7 -44.58 93.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.91 -55.68 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.449 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.69 -51.41 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.42 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.4 m -53.81 -44.85 70.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -58.97 -49.77 76.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -70.61 -16.88 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.147 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -49.0 18.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.73 -21.22 28.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.789 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -105.05 -64.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.685 0.278 . . . . 0.0 111.303 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.01 174.89 14.4 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -73.49 -13.35 61.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.686 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.72 103.46 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -168.61 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.604 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.15 16.91 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.577 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 12.1 mptt 60.92 90.01 0.07 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 p -81.66 12.71 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.005 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HB2' ' HZ3' ' A' ' 48' ' ' LYS . 4.6 ttmp? -58.56 -24.03 59.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.12 -43.64 95.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.06 -33.3 75.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.07 -58.64 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.79 -34.32 69.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.783 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -66.59 -49.07 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.541 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -56.63 -59.69 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.632 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -49.89 -56.95 8.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.528 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.527 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 11.2 tp10 -59.28 -30.33 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.572 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.02 -13.74 49.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.301 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.577 ' HB3' ' HB3' ' A' ' 64' ' ' GLU . 24.9 mmt -104.92 -18.54 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 56' ' ' GLU . 13.2 pttt -102.81 -36.88 8.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.67 0.271 . . . . 0.0 110.974 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.36 87.76 0.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.806 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 62.03 17.15 8.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.809 0.337 . . . . 0.0 110.698 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.97 -128.92 0.16 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.541 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -175.51 -23.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 111.002 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 0.7 OUTLIER -57.48 -82.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.632 -179.815 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 m -55.52 160.03 4.22 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.245 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.537 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 6.4 Cg_exo -73.73 -174.73 1.79 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.611 2.207 . . . . 0.0 112.117 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.1 t -151.39 21.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.528 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 59.85 93.38 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.198 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.948 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 mtt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.78 0.324 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t -78.63 138.5 38.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 129.9 41.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.7 p -143.42 -65.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.0 t70 62.42 4.36 1.3 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.246 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.0 tptm 62.34 158.38 0.06 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.91 0.386 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.65 145.18 29.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -81.66 -78.36 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -158.85 -57.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -76.18 134.15 39.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.66 143.91 39.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -92.23 146.5 23.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.023 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.0 m80 56.79 89.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.86 174.78 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.9 129.6 40.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -94.06 103.36 15.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -124.85 -60.14 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.539 ' HB2' ' HZ2' ' A' ' 19' ' ' LYS . 13.0 m-20 -138.91 -170.65 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.766 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' HZ2' ' HB2' ' A' ' 18' ' ' ASP . 3.9 mppt? 59.09 95.65 0.05 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.672 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 84.7 Cg_endo -89.8 63.37 2.11 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.775 2.317 . . . . 0.0 111.93 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.583 ' HB2' ' HZ2' ' A' ' 21' ' ' LYS . 10.3 mtmp? 57.59 85.93 0.18 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.444 ' HG3' ' HE2' ' A' ' 30' ' ' LYS . 9.6 Cg_endo -51.45 155.83 6.71 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.869 2.379 . . . . 0.0 112.632 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.42 ' SG ' HG23 ' A' ' 25' ' ' VAL . 2.3 p -115.89 -69.63 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.049 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.1 p -172.7 -31.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG23 ' SG ' ' A' ' 23' ' ' CYS . 23.3 m -59.63 -18.85 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.324 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 m -62.57 117.45 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.595 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.651 ' H ' ' HE1' ' A' ' 58' ' ' MET . 35.4 mmtp -56.67 156.66 11.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.667 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.39 -18.52 14.88 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.924 2.416 . . . . 0.0 112.558 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -46.02 -41.53 12.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HE2' ' HG3' ' A' ' 22' ' ' PRO . 63.5 tttp -60.15 -43.16 95.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.45 -46.48 89.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.812 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.63 -40.38 87.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -61.62 -46.6 89.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.436 . . . . 0.0 110.415 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 15.6 t70 -55.45 -56.79 16.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.743 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -45.58 64.56 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.692 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 53.7 t -52.87 -43.56 66.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.048 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.49 -25.24 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.835 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 34' ' ' ASP . 73.4 mt -64.64 -53.6 45.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.628 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -91.59 -41.44 10.77 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 36' ' ' CYS . 95.4 m-20 -84.39 -64.32 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.61 -169.09 18.59 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.727 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -99.79 -0.33 40.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.617 0.246 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.5 13.12 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.322 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -56.77 -51.95 66.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.192 0.52 . . . . 0.0 110.186 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 23.5 mm-40 -142.87 -77.46 0.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.05 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 17.0 mmtp -166.67 86.87 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.9 p -99.71 8.61 44.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.64 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -67.44 -23.82 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.801 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -58.93 -45.21 90.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.073 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -61.48 -33.74 74.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.7 -50.4 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -59.82 -40.6 88.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.979 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.61 -39.72 88.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.777 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.456 ' O ' ' HG2' ' A' ' 58' ' ' MET . 75.4 t80 -59.24 -61.41 2.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.325 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -51.34 -50.81 58.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.325 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.3 -39.57 76.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.777 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.29 -10.41 56.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.826 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.651 ' HE1' ' H ' ' A' ' 27' ' ' LYS . 25.9 mmt -104.98 -12.68 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -95.17 -28.32 15.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.764 0.316 . . . . 0.0 111.2 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.1 -77.65 0.84 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.163 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -107.76 14.74 25.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 0.0 110.458 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -81.81 -131.19 1.32 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.72 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 t80 176.57 -31.35 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.745 0.307 . . . . 0.0 110.965 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -105.84 103.77 13.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.491 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 p -179.23 109.67 0.2 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.83 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.672 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 5.2 Cg_exo -80.2 3.25 7.8 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.783 2.322 . . . . 0.0 112.03 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.1 m 60.67 179.43 0.1 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.294 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.05 143.57 32.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.04 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.804 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.808 0.337 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.4 p -85.6 121.95 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.058 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -121.83 122.52 39.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.0 p -95.95 177.67 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.298 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -140.43 13.82 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.41 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 58.34 -164.21 0.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.742 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -148.48 123.23 9.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -144.48 149.68 36.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.43 156.24 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -136.55 -176.44 4.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.867 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -119.1 -42.43 2.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.9 t30 61.73 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.047 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -139.72 134.0 31.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.766 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.36 173.34 17.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -96.1 134.38 39.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.9 t -149.68 156.17 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -94.79 -60.34 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -120.95 145.14 48.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.696 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.615 ' HB2' ' HZ3' ' A' ' 19' ' ' LYS . 4.6 ttmp? 59.83 98.57 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.194 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.642 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 53.5 Cg_endo -91.56 -59.57 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.805 2.337 . . . . 0.0 111.748 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.56 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 54.6 pttt -169.03 54.78 0.25 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.909 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.56 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 68.5 Cg_endo -93.24 135.48 1.17 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.167 2.578 . . . . 0.0 113.169 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.464 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 7.5 t -174.11 16.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.9 m -103.11 -12.44 17.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.795 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.406 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 2.2 t -129.47 12.89 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 17.5 p -138.3 153.79 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 23.9 tptm -173.27 -55.05 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.589 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 83.8 Cg_endo -75.9 -35.27 2.62 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.066 1.844 . . . . 0.0 112.703 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.81 -52.03 61.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.306 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -53.73 -39.36 65.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.135 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.78 -38.48 86.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.3 -58.01 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.99 -43.13 86.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -53.91 -55.42 27.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.5 m -54.67 -46.5 74.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 t -56.02 -38.45 70.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.9 mt -74.77 -27.35 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.025 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.92 -38.29 69.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.391 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -89.0 -30.16 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.746 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -98.61 -64.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.663 0.268 . . . . 0.0 111.28 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.65 174.48 13.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.658 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -77.54 -5.05 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 0.0 111.195 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -157.06 95.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.4 t -170.82 117.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.39 20.68 4.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER 59.48 88.82 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.888 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 81.3 m -85.26 12.45 8.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -72.68 -6.82 47.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.55 -45.32 92.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.27 -38.25 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.406 ' O ' ' HB3' ' A' ' 54' ' ' TYR . 71.6 mt -62.66 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.992 0.425 . . . . 0.0 110.812 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.04 -51.74 66.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.565 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -54.12 -36.97 63.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.228 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.457 ' O ' ' HG2' ' A' ' 58' ' ' MET . 16.2 t80 -60.07 -61.2 2.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.818 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.627 ' HB2' ' HZ3' ' A' ' 55' ' ' LYS . 10.3 mtmp? -54.15 -57.06 12.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.708 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.75 -35.35 63.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.2 p -84.81 -14.53 47.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.713 0.292 . . . . 0.0 111.13 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 25.5 mmt -98.42 -73.83 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.754 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -67.57 -6.57 20.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.631 0.253 . . . . 0.0 111.625 -179.63 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.18 -14.1 31.15 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.626 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -137.18 -34.95 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 110.677 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 59' ' ' LYS . . . -167.68 -105.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.234 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 28.4 t80 57.0 174.55 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.807 0.336 . . . . 0.0 111.205 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -107.37 108.7 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.261 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 59.6 t -138.38 134.48 17.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.539 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.642 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 11.1 Cg_exo -69.84 170.6 16.29 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.496 2.13 . . . . 0.0 111.989 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.5 m -79.04 155.01 29.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.96 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.43 -5.12 57.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.406 ' C ' HD21 ' A' ' 69' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.812 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.595 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 11.5 mmt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.5 t -154.02 155.52 35.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.008 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -101.46 152.12 21.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.948 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -129.3 152.48 48.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -155.11 144.09 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -144.79 105.03 4.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.035 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -68.92 104.14 2.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.62 ' HG2' ' H ' ' A' ' 10' ' ' GLN . 35.9 tt0 -157.07 -80.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.736 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 58.61 25.55 13.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.62 ' H ' ' HG2' ' A' ' 8' ' ' GLN . 85.9 mm-40 -124.14 104.65 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.048 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -105.25 -42.77 5.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.95 126.73 36.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.82 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -87.33 -74.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.2 -36.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.218 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.55 147.7 44.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.013 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.3 p -140.64 14.23 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.76 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.35 173.68 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.074 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -124.82 -162.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.526 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? 39.7 93.44 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.377 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.982 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.702 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 52.1 Cg_endo -89.88 -68.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.84 2.36 . . . . 0.0 111.694 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.531 ' HD2' ' HB2' ' A' ' 20' ' ' PRO . 10.0 mptt -136.55 68.85 60.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.707 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.36 166.06 15.99 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.857 2.371 . . . . 0.0 113.03 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HG ' ' A' ' 26' ' ' CYS . 4.6 t 65.06 -172.97 0.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.024 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t 66.62 0.89 1.97 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 23' ' ' CYS . 14.0 t -141.24 -27.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.431 ' HG ' ' HA ' ' A' ' 23' ' ' CYS . 28.0 p -96.86 138.54 34.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.063 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.526 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 23.8 tptm -172.62 -51.31 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.199 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.526 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.1 Cg_endo -75.31 -43.58 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.055 1.837 . . . . 0.0 112.546 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -64.76 -50.08 68.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -59.75 -36.58 76.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.24 -54.53 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.84 -29.07 69.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.154 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -68.57 -58.24 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -58.29 -36.48 73.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.7 m -64.36 -48.64 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.7 t -58.04 -46.8 84.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.532 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 67.2 mt -62.8 -50.33 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.916 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.45 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.978 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -81.75 -72.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' A' ' 44' ' ' SER . 42.7 m-80 -141.82 38.88 1.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -112.03 -139.38 7.7 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.644 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 71.52 -21.91 0.2 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.46 0.304 . . . . 0.0 111.707 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.489 ' H ' ' C ' ' A' ' 41' ' ' GLY . 4.5 p-10 -173.74 30.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.647 0.26 . . . . 0.0 111.221 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' A' ' 40' ' ' ASN . 69.5 m -129.97 128.48 42.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 110.993 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 60.89 10.11 2.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.318 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm 60.38 91.14 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.077 0.465 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.42 -7.53 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.408 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -60.63 -14.68 21.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.9 -46.96 87.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -62.16 -34.88 77.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.815 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.04 -48.8 84.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.678 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -58.55 -45.32 89.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.595 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -60.01 -40.68 90.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.378 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.418 ' O ' ' HG2' ' A' ' 58' ' ' MET . 80.0 t80 -56.86 -57.11 13.91 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.306 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HZ1' ' HB2' ' A' ' 55' ' ' LYS . 10.1 mtmp? -52.1 -55.49 20.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.544 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.94 -24.37 57.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.91 -24.19 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.181 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.418 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 71.2 mmm -87.33 -57.97 2.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -61.95 -19.24 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.28 -26.96 69.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.311 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -114.62 -59.07 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 110.629 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.26 91.79 1.78 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.73 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -155.08 -54.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.019 0.437 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HB2' ' HE1' ' A' ' 58' ' ' MET . 48.1 mt-10 -106.71 167.62 9.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.651 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.4 t 61.27 102.75 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.134 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.702 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 2.9 Cg_endo -81.85 -67.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.018 2.479 . . . . 0.0 112.399 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -77.73 171.85 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.041 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.24 -37.89 15.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.0 t30 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.799 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.2 m 65.45 143.22 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.339 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -116.13 116.36 27.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.6 p -116.45 168.15 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -120.12 145.17 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -75.21 -6.21 48.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -63.38 116.14 5.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 55.26 39.8 31.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.94 122.33 11.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.878 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -102.98 -177.24 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.44 136.18 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -71.22 177.3 3.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -128.55 135.43 49.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.44 139.08 17.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.981 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -122.01 20.79 10.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.814 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -142.36 104.74 4.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -109.3 124.03 50.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.002 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -150.53 -171.9 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.597 ' HB2' ' HZ1' ' A' ' 19' ' ' LYS . 9.8 mtmp? 59.15 93.91 0.05 OUTLIER Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.67 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 74.2 Cg_endo -87.54 -59.66 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.64 2.226 . . . . 0.0 112.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' HB2' ' HZ2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -168.77 82.0 0.72 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.978 179.554 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -44.44 122.24 3.73 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.897 2.398 . . . . 0.0 112.995 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.461 ' SG ' HG22 ' A' ' 25' ' ' VAL . 1.8 p -98.63 -159.65 0.75 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.034 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.3 p -86.38 -14.64 42.85 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.461 HG22 ' SG ' ' A' ' 23' ' ' CYS . 3.2 m -66.76 -24.14 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 111.023 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.9 p -136.32 131.13 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.602 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 39.6 ttpt -167.02 -50.25 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.397 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 35.3 Cg_exo -60.41 -31.64 92.89 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.024 1.816 . . . . 0.0 112.126 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.34 -51.17 70.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -57.95 -38.82 76.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.179 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.33 -44.18 95.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.66 -43.2 99.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.103 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -60.36 -54.86 40.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.89 -44.9 82.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.293 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.6 m -57.85 -45.58 86.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.177 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.06 -44.19 97.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 42' ' ' GLN . 69.6 mt -71.03 -21.19 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -50.7 14.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.29 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -80.04 -51.77 8.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.666 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.56 -63.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.14 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.03 -178.37 22.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.488 ' HA ' HG22 ' A' ' 37' ' ' ILE . 5.3 pm0 -62.49 -17.13 58.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.797 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -152.85 -80.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.766 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 m 49.0 -90.79 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.473 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -95.22 30.55 2.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.994 0.426 . . . . 0.0 110.53 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 3.3 mptp? 60.77 87.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.147 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.3 m -92.45 10.5 29.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.597 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.27 -23.78 62.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.811 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -52.64 -41.48 63.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -66.04 -32.44 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.249 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.09 -52.73 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.259 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -43.27 99.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.084 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.99 -49.58 76.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -55.82 -61.25 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.041 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -51.06 -53.99 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.625 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.06 -31.12 68.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.66 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.8 m -84.56 -15.26 46.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.738 0.304 . . . . 0.0 111.093 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.565 ' HE1' ' HA ' ' A' ' 58' ' ' MET . 11.5 mmt -92.43 -70.07 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.369 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -21.27 60.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.393 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.74 -56.45 19.02 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.686 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -151.18 -0.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.781 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.51 -106.5 0.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 113.121 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -169.75 179.37 3.73 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 62.4 -172.59 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.699 0.285 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.2 t 65.57 107.1 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.178 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.67 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 9.4 Cg_exo -73.26 -168.36 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.803 2.335 . . . . 0.0 112.366 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.0 t -158.13 162.37 37.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.38 107.94 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 m120 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.929 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.808 0.337 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.7 t -85.17 162.57 19.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -76.02 -64.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.2 p -100.84 156.52 17.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -112.46 173.13 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -76.45 -60.08 2.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 59.68 100.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -141.83 -1.49 1.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.791 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.95 136.09 57.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -141.41 131.91 25.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -127.1 -57.89 1.3 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.738 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -113.49 130.69 56.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -85.14 6.68 24.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.071 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.56 -50.17 9.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.08 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 61.24 106.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.301 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.6 p -137.78 92.95 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -168.7 152.25 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -95.15 172.14 8.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.838 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.77 96.92 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.302 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 63.6 Cg_endo -88.3 46.07 1.1 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.777 2.318 . . . . 0.0 111.922 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 62.4 90.28 0.09 OUTLIER Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.017 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.89 108.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.795 2.33 . . . . 0.0 112.734 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.437 ' SG ' HG23 ' A' ' 25' ' ' VAL . 2.2 p -61.11 -87.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.74 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.6 m -145.41 -37.79 0.27 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.634 0.254 . . . . 0.0 111.239 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.437 HG23 ' SG ' ' A' ' 23' ' ' CYS . 28.3 m -54.37 -31.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.399 . . . . 0.0 111.134 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -112.8 119.39 37.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.659 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.604 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 88.1 tttt -161.13 -53.06 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.8 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 16.5 Cg_endo -58.26 -42.41 56.63 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.876 1.717 . . . . 0.0 112.263 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.21 -47.36 83.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -58.95 -44.99 91.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -55.97 -46.43 78.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.654 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.84 -40.5 93.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.17 -50.68 72.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -59.67 -33.96 72.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.0 m -64.68 -50.63 66.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.668 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -54.68 -50.03 69.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.228 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.33 -41.12 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.609 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.65 -34.6 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.326 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.57 -75.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.982 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -153.17 12.11 0.48 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.068 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 43' ' ' ASP . . . -63.51 -12.42 46.1 Favored Glycine 0 CA--C 1.511 -0.181 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.994 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.91 4.44 0.64 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.516 0.198 . . . . 0.0 111.245 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' A' ' 41' ' ' GLY . 27.8 t70 -167.09 -36.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.585 0.231 . . . . 0.0 111.436 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -49.12 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.43 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -104.15 8.0 36.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.145 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' HB3' ' HZ2' ' A' ' 48' ' ' LYS . 13.1 mptt 59.75 11.73 2.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.189 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 46' ' ' LYS . 5.1 p 50.29 20.53 0.66 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.674 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HZ2' ' HB3' ' A' ' 46' ' ' LYS . 62.2 mttp -92.97 -26.64 17.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.43 -46.67 82.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.84 -36.83 84.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.282 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.21 -46.52 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.33 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.67 -48.41 72.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.39 -36.27 71.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.154 0.502 . . . . 0.0 109.984 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -64.35 -59.82 3.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.314 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -55.43 -28.51 54.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.659 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.632 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.4 tt0 -73.06 -43.42 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.681 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -84.49 -9.67 58.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.829 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.534 ' HB3' ' HB3' ' A' ' 63' ' ' PHE . 25.4 mmt -100.58 -30.74 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.632 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 9.1 ptmt -61.63 -21.98 64.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.76 0.314 . . . . 0.0 111.04 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.64 60.77 4.78 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.685 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 56.32 17.83 3.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.68 0.276 . . . . 0.0 111.187 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.68 -25.93 28.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 47.5 t80 -171.62 133.98 0.81 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.786 0.326 . . . . 0.0 110.8 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.52 141.87 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.2 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.62 132.76 16.51 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.572 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.424 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 25.8 Cg_exo -62.49 -36.16 67.15 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.398 2.065 . . . . 0.0 112.166 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.5 t -61.45 148.44 41.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 59.62 -176.76 0.1 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.291 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.889 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.713 0.292 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.9 m -151.29 -34.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -104.52 -43.32 5.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.3 p -96.2 135.04 38.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.186 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -91.14 -21.67 21.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.707 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.4 tptt 58.4 95.2 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.123 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -148.08 137.02 21.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -122.06 -4.2 9.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.67 147.08 46.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 65.23 123.4 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.401 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -80.57 -178.49 6.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.982 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -99.28 -38.09 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 62.27 109.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.19 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.28 126.05 5.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -121.03 162.25 20.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.0 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.8 m -111.21 12.45 21.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.8 150.71 32.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -123.86 177.01 5.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.759 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 64.91 125.58 0.02 OUTLIER Pre-proline 0 CA--C 1.53 0.181 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.505 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 94.1 Cg_endo -88.22 -64.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.508 2.139 . . . . 0.0 112.133 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 54.3 tptt -176.31 79.72 0.28 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.999 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -40.02 92.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.173 2.582 . . . . 0.0 113.417 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.4 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 5.1 m -162.73 177.69 9.13 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.245 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.7 m 62.63 17.35 9.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.697 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 p -168.0 -35.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.726 0.298 . . . . 0.0 111.35 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 28.1 p -76.34 124.42 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 5.1 tmtp? -164.38 -55.04 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.829 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.508 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.0 Cg_endo -76.25 -41.7 0.46 Allowed 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.018 1.812 . . . . 0.0 112.021 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.9 -50.04 73.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.187 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 60.7 pttt -56.28 -34.53 66.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.966 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.7 -49.67 57.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.04 -46.56 89.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -60.94 -39.43 89.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.544 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.65 -45.85 90.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.1 m -59.99 -42.78 94.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.528 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.94 -34.55 77.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.259 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.9 mt -73.78 -28.14 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.347 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -46.69 62.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.981 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -73.24 -51.16 18.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.848 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -74.32 -64.44 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.518 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.12 172.83 26.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.574 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -71.11 -11.78 61.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.661 0.267 . . . . 0.0 111.162 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -167.92 119.04 0.83 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.018 0.437 . . . . 0.0 111.327 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -169.4 11.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.477 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 57.06 27.05 12.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -93.13 -34.13 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.184 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 p -95.07 12.92 26.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.99 -33.13 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -58.63 -40.75 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.032 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -65.11 -33.31 75.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.67 -52.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.64 -45.8 92.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.52 -37.2 77.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.614 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' O ' ' HG2' ' A' ' 58' ' ' MET . 80.4 t80 -60.98 -58.15 9.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.365 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 67.1 mttm -49.68 -56.06 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.462 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.517 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 12.7 pt-20 -60.57 -29.81 69.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.4 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.0 t -78.96 -17.66 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.743 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.516 ' HE3' ' HA ' ' A' ' 58' ' ' MET . 32.7 mmt -88.03 -66.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.356 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.517 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.33 -15.3 15.42 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.828 0.346 . . . . 0.0 111.164 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.46 53.98 4.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.157 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.2 t80 59.02 85.86 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.911 0.386 . . . . 0.0 110.732 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.89 -36.76 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -156.4 155.05 31.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.364 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 20' ' ' PRO . 11.7 pt-20 -68.01 132.44 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.233 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t -145.27 114.99 4.92 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.35 -57.76 1.8 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.422 2.081 . . . . 0.0 112.394 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m 57.52 22.16 7.81 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.99 101.67 13.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.954 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.94 -179.871 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 67.3 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.997 0.332 . . . . 0.0 112.166 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.539 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 17.3 ptmt -144.87 55.5 3.14 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.553 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -23.91 91.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 124.981 3.788 . . . . 0.0 113.508 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.567 ' SG ' HG12 ' A' ' 25' ' ' VAL . 24.6 p -67.71 -159.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.167 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.72 -19.99 47.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.973 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.567 HG12 ' SG ' ' A' ' 23' ' ' CYS . 1.2 p -65.49 -18.92 24.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 110.974 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.6 p -126.26 114.89 18.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.729 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 56.1 tptt -161.02 -50.94 0.01 OUTLIER Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.84 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.729 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 19.9 Cg_endo -60.74 -55.51 1.37 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.045 1.83 . . . . 0.0 113.063 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -31.59 65.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.825 0.345 . . . . 0.0 110.776 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -64.35 -44.14 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.275 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.43 -34.77 78.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.359 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.07 -37.09 83.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -68.98 -45.69 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.789 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.39 -44.24 97.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.734 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.9 m -63.89 -40.65 97.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.6 t -61.29 -43.88 98.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.38 -24.38 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -52.4 20.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.297 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -74.64 -42.59 58.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.636 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -74.77 -64.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 111.299 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 43' ' ' ASP . . . 117.82 20.06 4.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.419 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 65.26 -7.9 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.725 0.298 . . . . 0.0 110.989 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 41' ' ' GLY . 6.6 p-10 -83.14 6.95 17.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -109.62 100.32 9.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 58.53 17.66 5.12 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 61.89 7.28 1.97 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.7 t 54.22 24.39 4.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 51' ' ' ILE . 39.6 ttpt -70.54 -18.74 62.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.71 -47.48 85.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -68.07 -32.82 73.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 48' ' ' LYS . 80.6 mt -64.85 -44.4 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -69.07 -48.28 63.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -57.48 -37.36 72.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.077 0.465 . . . . 0.0 110.445 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -67.6 -56.62 8.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.394 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -57.78 -27.65 63.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.625 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.6 tt0 -78.9 -34.81 44.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.425 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.5 t -84.49 -14.37 49.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.709 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.457 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . 23.3 mmt -101.04 -39.25 7.81 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.625 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -67.18 -20.09 65.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.503 -179.372 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.465 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -105.77 97.7 1.32 Allowed Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.592 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 55.64 17.73 2.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -82.89 -94.48 0.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.43 ' HB2' HG11 ' A' ' 25' ' ' VAL . 16.8 t80 -141.64 -90.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.605 0.24 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.437 ' HG3' ' HG3' ' A' ' 20' ' ' PRO . 10.5 pt-20 -171.52 139.66 1.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 CA--C 1.531 0.234 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.678 179.705 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.74 ' HG3' ' H ' ' A' ' 65' ' ' VAL . 23.6 Cg_endo . . . . . 0 N--CA 1.459 -0.54 0 CA-C-O 120.68 0.2 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt 61.48 63.93 2.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.675 -178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.567 ' HD3' ' HD2' ' A' ' 20' ' ' PRO . 32.1 Cg_endo -62.91 115.34 2.88 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.938 2.425 . . . . 0.0 112.417 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.5 m -161.79 17.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.197 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.2 t -108.82 2.52 21.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -159.48 -32.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.602 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.7 p -63.49 140.38 58.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.581 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 38.1 ttpt -165.86 -53.38 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.436 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.581 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 70.4 Cg_endo -75.13 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.058 1.839 . . . . 0.0 112.475 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.05 -27.22 68.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.01 -56.38 10.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.24 -40.28 93.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.455 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.55 -45.21 91.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.49 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -63.49 -51.57 64.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.259 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.18 -42.17 80.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.962 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.2 m -62.14 -42.95 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.81 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -61.08 -46.15 91.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.7 mt -71.74 -21.61 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.87 -47.01 41.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -85.55 -57.57 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.461 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -75.12 -63.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.075 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.34 -179.19 16.49 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -77.1 -7.24 55.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -131.37 94.35 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.993 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.0 t -171.16 96.65 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.703 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 56.52 22.72 6.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 59.88 88.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.6 p -83.11 18.56 1.65 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -66.46 -11.31 51.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.163 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.91 -42.5 80.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.013 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -64.08 -44.77 91.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.115 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.04 -56.87 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.252 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -55.11 -40.21 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.6 -41.46 98.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.443 ' O ' ' HG2' ' A' ' 58' ' ' MET . 79.9 t80 -58.87 -58.71 7.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.476 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -52.16 -42.43 63.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.485 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 41.4 tt0 -64.76 -32.89 74.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.343 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.2 t -84.3 -16.74 41.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.363 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 96.1 mmm -84.74 -56.65 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.97 -9.8 42.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.663 0.268 . . . . 0.0 111.456 -179.1 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.17 -16.11 59.58 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -123.93 -25.99 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.2 25.95 15.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.315 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -103.17 127.25 50.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.66 0.267 . . . . 0.0 110.548 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 60.36 -165.8 0.2 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.614 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.74 ' H ' ' HG3' ' A' ' 20' ' ' PRO . 40.7 t . . . . . 0 CA--C 1.533 0.306 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.094 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.533 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 95.1 Cg_endo . . . . . 0 N--CA 1.459 -0.508 0 CA-C-O 121.076 0.365 . . . . 0.0 112.183 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 62.6 tttp -172.49 70.81 0.42 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.584 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.47 87.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.842 2.362 . . . . 0.0 113.067 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -168.91 170.95 8.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.786 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.7 m 63.46 5.36 2.06 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.172 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 m -143.67 -32.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.25 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.7 p -79.67 105.09 10.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.198 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 29.0 mtpp -126.51 -51.8 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.42 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.648 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 15.2 Cg_exo -69.14 -54.58 0.24 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.106 1.871 . . . . 0.0 111.862 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 4.5 tm-20 -56.52 -33.79 66.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.716 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -62.77 -43.19 99.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.622 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -68.71 -35.87 77.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.67 -57.55 7.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -58.09 -42.41 85.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.55 -50.66 72.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -56.3 -40.28 74.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 t -62.51 -43.06 99.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.556 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.66 -32.86 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -69.17 -44.37 72.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -76.09 -71.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.623 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -74.57 -64.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.436 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.95 168.82 11.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.369 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -95.51 2.56 54.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.89 -1.91 27.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -75.97 -71.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -130.75 18.28 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 13.0 mptt 62.87 5.6 1.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.898 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.8 m 53.22 26.48 5.14 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -63.3 -18.62 63.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.57 -44.05 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -68.17 -38.86 82.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.53 -59.35 4.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.16 -42.3 80.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 4.8 ttmp? -60.62 -35.24 75.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.622 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.437 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 36.0 t80 -65.51 -60.95 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.498 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 59' ' ' LYS . 28.1 mtpp -54.12 -30.98 50.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.746 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.463 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 2.2 tm-20 -77.82 -40.88 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.796 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.7 m -84.92 -9.54 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 mmt -104.98 -39.68 6.17 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.463 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -61.11 -10.61 6.54 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.89 19.42 11.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.449 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -146.95 -31.69 0.32 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.678 0.275 . . . . 0.0 111.047 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.08 109.08 0.27 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.372 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -135.44 -32.96 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.847 0.356 . . . . 0.0 111.198 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -167.18 -32.11 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.533 ' HA ' ' HG3' ' A' ' 20' ' ' PRO . 1.7 m . . . . . 0 CA--C 1.532 0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.281 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.446 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 51.5 Cg_endo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.792 0.247 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.659 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 23.2 pttm -164.91 49.41 0.21 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.609 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.659 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 35.5 Cg_endo -93.58 -77.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.857 2.371 . . . . 0.0 111.901 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.4 t 54.95 17.08 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.277 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.5 t -111.41 8.28 21.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.51 -29.59 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.128 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.3 127.85 36.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.75 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 50.6 mtpt -142.35 -54.02 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.643 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.75 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.1 Cg_endo -75.25 -52.08 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.079 1.853 . . . . 0.0 112.613 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.99 -35.88 81.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.37 -37.73 85.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.743 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.39 -53.72 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -58.24 -39.66 79.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -64.18 -56.53 14.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.987 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -55.09 -41.84 72.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.5 m -61.26 -45.56 94.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.17 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.1 t -65.27 -32.65 74.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.566 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 93.7 mt -71.86 -35.82 56.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.404 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.3 mt -81.93 -28.46 32.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.613 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -90.04 -64.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -124.45 38.47 4.19 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.566 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -139.58 -154.79 6.42 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.792 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 68.67 -3.93 1.28 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.43 0.292 . . . . 0.0 111.376 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -177.43 -35.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.826 0.345 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.4 m -58.12 -74.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.504 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 47' ' ' CYS . 42.3 mt-10 -113.14 -0.85 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.341 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 67.39 -9.74 0.39 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.87 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 45' ' ' GLU . 68.7 m 54.3 26.74 7.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.44 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 51' ' ' ILE . 55.6 mtpt -55.23 -26.15 37.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.32 -46.27 84.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -69.12 -34.51 75.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.069 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 48' ' ' LYS . 77.0 mt -63.54 -52.82 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.559 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 12.8 pt-20 -68.93 -41.06 78.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.244 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -59.52 -36.21 75.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.183 0.516 . . . . 0.0 110.088 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.29 -54.09 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.575 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 18.1 pttp -56.72 -31.27 64.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.078 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.584 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 48.5 mt-10 -81.08 -34.96 32.3 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.648 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.1 t -83.54 -9.93 58.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.73 0.3 . . . . 0.0 111.205 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.4 mmt -102.05 -44.27 5.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.584 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.2 -17.09 63.75 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.122 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -67.19 -52.37 32.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -163.56 10.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.965 0.412 . . . . 0.0 110.615 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.54 -91.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.426 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -178.13 136.9 0.17 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.861 0.362 . . . . 0.0 111.261 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.487 ' HG3' ' HB3' ' A' ' 22' ' ' PRO . 16.3 mm-40 60.25 -123.11 1.03 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.346 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 CA--C 1.533 0.309 0 O-C-N 123.014 0.196 . . . . 0.0 111.126 -179.45 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HB2' ' HB3' ' A' ' 64' ' ' GLU . 42.8 Cg_endo . . . . . 0 N--CA 1.463 -0.316 0 CA-C-O 120.611 0.171 . . . . 0.0 111.853 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm 60.79 70.72 0.92 Allowed Pre-proline 0 C--N 1.33 -0.267 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.44 96.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.912 2.408 . . . . 0.0 112.7 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.5 m -167.0 20.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.4 m -111.01 4.0 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.422 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -168.45 -27.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.517 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.24 125.72 24.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.985 0.421 . . . . 0.0 111.058 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.708 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 28.8 mtpp -141.85 -55.57 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.355 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.708 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 87.7 Cg_endo -75.74 -27.35 8.93 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.18 1.92 . . . . 0.0 112.186 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.58 -36.78 85.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -67.96 -36.98 81.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.114 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.03 -49.23 59.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.783 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.01 -52.32 64.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.023 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -56.51 -43.91 80.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.1 -43.66 87.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -58.61 -44.99 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.52 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -60.94 -38.31 85.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.712 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.422 HG23 ' HA ' ' A' ' 42' ' ' GLN . 77.2 mt -72.04 -26.14 24.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 tt -72.2 -48.7 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -77.17 -57.35 3.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.713 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -74.72 -64.05 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.431 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.07 -178.45 23.76 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' HA ' HG23 ' A' ' 37' ' ' ILE . 78.1 mt-30 -76.39 -5.46 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.666 0.27 . . . . 0.0 111.044 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -165.83 118.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.26 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.8 t -171.49 20.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.46 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 61.54 24.36 14.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.66 -36.33 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.233 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' O ' HG13 ' A' ' 51' ' ' ILE . 71.7 m -77.66 -22.37 50.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.17 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . 8.6 mtpm? -53.89 -33.35 56.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.85 -43.14 84.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.048 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -67.82 -34.75 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 47' ' ' CYS . 70.9 mt -64.61 -56.28 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -59.82 -37.99 80.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.685 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.75 -38.66 91.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.525 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.447 ' O ' ' HG2' ' A' ' 58' ' ' MET . 70.8 t80 -63.74 -57.14 10.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.592 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -55.61 -34.71 65.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.492 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.628 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.2 tt0 -77.49 -32.97 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.696 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.6 t -85.48 -12.84 50.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 87.5 mmm -104.32 -37.78 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.628 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -65.26 -7.17 11.91 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.315 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -54.4 -31.96 51.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.523 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.35 -19.87 3.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.776 0.322 . . . . 0.0 110.853 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.16 84.31 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.623 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -85.07 -34.6 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.096 0.475 . . . . 0.0 110.546 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 20' ' ' PRO . 14.2 mm-40 -153.12 -22.07 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.415 ' HA ' ' HG3' ' A' ' 20' ' ' PRO . 45.2 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.485 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.567 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 60.9 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.797 0.249 . . . . 0.0 112.124 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.602 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 57.5 tptt -165.94 -50.23 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.591 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 21' ' ' LYS . 5.4 Cg_exo -74.36 -22.59 16.18 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.292 1.994 . . . . 0.0 112.48 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.0 p 52.17 17.9 0.78 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.544 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.8 m 59.32 7.77 0.99 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.739 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.7 t 58.33 100.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.878 0.371 . . . . 0.0 111.153 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -120.79 160.85 22.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.11 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.584 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 39.3 ttpt -171.37 -52.24 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.251 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 58.6 Cg_endo -71.29 -54.79 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.052 1.835 . . . . 0.0 112.422 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -57.82 -45.24 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.33 -37.48 85.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.34 -40.15 95.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.26 -41.77 93.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.463 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -62.38 -45.49 92.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.04 -44.73 94.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.6 m -58.65 -46.19 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.803 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -56.67 -50.46 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.15 -22.46 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 38' ' ' LEU . 3.3 tt -72.76 -41.63 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.555 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -78.15 -63.53 1.37 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.241 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 44' ' ' SER . 2.5 p30 -90.41 -62.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.389 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.34 -171.87 18.08 Favored Glycine 0 N--CA 1.453 -0.172 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -89.14 -8.69 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.677 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -99.94 7.07 45.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.764 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.536 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . 87.6 p -68.72 -150.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.2 37.77 0.27 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 63.75 92.89 0.06 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.008 0.432 . . . . 0.0 111.247 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.27 26.49 1.63 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.678 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -63.3 -10.44 16.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.252 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.11 -41.75 75.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -70.24 -34.15 72.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.2 -53.9 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.32 -46.26 90.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.789 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -58.43 -42.12 86.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.329 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.468 ' O ' ' HG2' ' A' ' 58' ' ' MET . 79.8 t80 -56.35 -54.77 41.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.977 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -54.67 -45.5 73.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.613 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.74 -35.85 66.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.446 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t -78.25 -23.69 47.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 33.6 mmt -69.89 -58.44 3.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.497 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -79.61 -17.79 53.03 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.091 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.71 83.32 1.6 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 33.1 t80 59.92 17.21 6.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.949 0.404 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.44 -93.92 0.02 OUTLIER Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -164.71 -66.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.0 0.429 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -163.93 124.24 2.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.043 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.567 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.575 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.477 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 58.7 Cg_endo . . . . . 0 N--CA 1.465 -0.193 0 CA-C-O 120.581 0.159 . . . . 0.0 112.411 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.606 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 8.5 ptpp? -161.09 52.13 0.39 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.68 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.606 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 41.9 Cg_endo -94.28 -70.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.917 2.411 . . . . 0.0 111.964 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.512 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 5.9 t 54.13 23.64 4.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.179 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -112.91 -2.66 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.618 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 m -139.27 -0.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.57 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 32.1 p -116.75 114.92 24.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.693 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 62.3 mttp -147.0 -55.4 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.558 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.693 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.6 Cg_endo -75.79 -33.54 3.78 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.131 1.887 . . . . 0.0 112.759 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -53.56 -42.31 67.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.73 -35.61 80.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.01 -43.76 70.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.45 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -64.34 -54.26 35.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.6 -43.42 68.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.8 m -63.73 -38.16 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.688 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -60.47 -46.43 90.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 42' ' ' GLN . 2.0 mp -70.21 -29.73 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.63 -44.16 78.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.435 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -84.44 -52.65 6.0 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -74.22 -63.09 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.296 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.62 173.71 23.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.838 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HA ' HG23 ' A' ' 37' ' ' ILE . 47.1 mt-30 -58.45 -18.47 28.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.685 0.279 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -170.78 118.06 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.2 m -150.12 36.69 0.68 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.368 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 64.74 26.49 13.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.338 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -124.48 -28.87 3.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.4 m -58.86 -43.82 90.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.33 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -67.01 -25.4 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.201 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.98 -47.15 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.129 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -67.37 -36.7 81.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.394 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.89 -56.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.089 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.92 -37.46 79.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -60.71 -43.72 97.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.256 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' MET . 72.7 t80 -61.39 -61.22 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.739 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -50.45 -51.65 45.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 43.4 tt0 -58.44 -35.28 71.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.436 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.4 t -84.95 -10.37 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.514 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 88.6 mmm -101.82 -26.55 13.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 9.5 ptmt -87.41 -36.19 17.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.825 0.345 . . . . 0.0 110.943 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.16 88.97 1.59 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.802 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 59.25 20.88 9.0 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.897 0.379 . . . . 0.0 110.403 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -66.72 -97.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.733 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -166.47 -76.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.917 0.389 . . . . 0.0 111.455 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 9.7 tp10 -137.0 127.56 26.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.664 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.696 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.673 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 36.9 Cg_endo . . . . . 0 N--CA 1.461 -0.439 0 CA-C-O 120.605 0.169 . . . . 0.0 112.301 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.586 ' H ' ' HD2' ' A' ' 22' ' ' PRO . 4.5 tppp? 179.63 -47.5 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.89 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.673 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 86.0 Cg_endo -78.32 -113.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.309 2.006 . . . . 0.0 112.653 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.437 ' H ' ' HB2' ' A' ' 22' ' ' PRO . 36.7 t 54.15 25.45 5.69 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.3 t -112.89 -29.51 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.359 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.78 -31.44 44.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.178 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.5 p -60.75 146.65 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.587 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 64.0 tttp -167.38 -50.22 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.395 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 34.1 Cg_exo -60.0 -54.43 2.31 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.022 1.814 . . . . 0.0 112.137 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.82 -29.98 69.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -65.97 -43.11 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.363 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.63 -39.92 84.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.751 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.71 -54.65 39.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' O ' HG12 ' A' ' 37' ' ' ILE . 74.6 ttt180 -55.6 -48.99 73.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.727 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.59 -47.13 67.1 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.661 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.6 m -58.43 -40.93 83.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.276 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.5 t -67.94 -29.05 68.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.531 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 33' ' ' ARG . 33.5 mm -68.2 -44.94 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.1 mt -76.46 -28.31 56.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.66 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -86.33 -20.76 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -121.38 -64.7 1.2 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.665 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 37' ' ' ILE . . . -178.57 175.18 47.23 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.689 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HA ' HG23 ' A' ' 37' ' ' ILE . 6.3 tp-100 -55.87 -18.83 9.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.69 0.281 . . . . 0.0 111.095 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -165.35 -45.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.3 p 48.42 -159.49 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.263 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -121.5 -2.36 9.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 3.2 mptp? -104.26 1.96 31.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.7 t -114.2 -16.52 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.999 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HA ' HD12 ' A' ' 51' ' ' ILE . 7.8 mtpm? -61.87 -23.26 66.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.27 -46.99 84.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -66.76 -32.78 74.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 48' ' ' LYS . 57.6 mt -66.32 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 111.341 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.2 -40.76 82.44 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.994 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.31 -40.58 96.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.226 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -59.8 -60.78 3.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' O ' ' HD2' ' A' ' 59' ' ' LYS . 65.0 mttm -50.78 -57.69 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.559 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.26 -34.65 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.413 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -84.87 -14.8 46.73 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.479 ' HB2' ' HG3' ' A' ' 64' ' ' GLU . 97.1 mmm -104.93 -11.41 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 55' ' ' LYS . 10.5 ptmt -100.6 -14.66 18.08 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.298 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.5 -63.87 4.7 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.234 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -143.34 13.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.512 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.55 -125.1 5.47 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.776 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' PRO . 96.7 m-85 -143.27 134.59 26.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.654 0.264 . . . . 0.0 110.893 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.479 ' HG3' ' HB2' ' A' ' 58' ' ' MET . 0.1 OUTLIER -173.57 -174.74 1.02 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.055 0.455 . . . . 0.0 111.371 179.779 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.53 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 30.0 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.403 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.599 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 57.8 Cg_endo . . . . . 0 C--O 1.232 0.223 0 CA-C-O 120.656 0.19 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.583 ' HB2' ' HD3' ' A' ' 22' ' ' PRO . 49.2 mmtm -110.16 -49.99 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.844 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.599 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 88.6 Cg_exo -48.28 -81.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.325 2.017 . . . . 0.0 113.031 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.412 ' H ' ' HB2' ' A' ' 22' ' ' PRO . 21.0 t 52.68 21.1 1.75 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.859 0.361 . . . . 0.0 111.174 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.0 t -106.32 -32.17 8.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.227 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 t -84.21 53.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.44 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.8 p -168.87 112.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.784 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 99.6 mttt -136.25 -54.27 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.605 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.784 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 58.7 Cg_endo -71.87 -52.76 0.19 Allowed 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.903 1.735 . . . . 0.0 112.1 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.33 -34.95 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.642 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -65.39 -51.42 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.761 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -59.38 -49.55 77.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.265 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.09 -39.23 81.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -62.01 -56.61 17.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.88 -35.93 67.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -61.63 -50.3 73.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.1 t -57.83 -44.14 86.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.786 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.6 mt -69.93 -23.77 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.24 -52.49 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -80.87 -54.66 5.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.845 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -74.74 -64.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.647 0.26 . . . . 0.0 111.305 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.52 179.4 17.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.571 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -62.23 -20.04 63.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.718 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -145.32 -87.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 t 56.24 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -110.53 43.0 1.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 58.98 86.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.008 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.61 9.56 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -76.23 -6.96 53.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.736 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -43.9 82.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.53 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -65.04 -32.68 74.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.747 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.3 mt -64.51 -53.58 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.69 -45.26 92.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.95 -37.02 83.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' MET . 81.3 t80 -62.37 -61.91 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 93.6 mttt -56.98 -34.31 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.63 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.562 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 37.3 tt0 -62.77 -45.66 91.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.382 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.1 m -84.81 -9.34 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.574 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.478 ' HB3' ' HB3' ' A' ' 63' ' ' PHE . 26.3 mmt -101.71 -14.27 17.43 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 8.2 pttp -90.96 -17.21 26.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.05 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.83 -10.89 41.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.65 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -99.74 -33.11 10.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.8 70.33 0.35 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.607 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.478 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 67.2 t80 -142.59 113.77 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.23 130.5 37.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.511 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 15.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 98.1 Cg_endo . . . . . 0 N--CA 1.456 -0.718 0 CA-C-O 120.967 0.32 . . . . 0.0 112.262 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.528 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 20.9 pttp -175.53 57.06 0.17 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.392 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 31.4 Cg_exo -58.42 85.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.691 2.26 . . . . 0.0 112.637 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -171.62 86.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.2 t -174.07 -32.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.759 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.2 p -133.84 -19.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.3 p -60.74 126.36 27.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.795 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 67.9 mttm -135.74 -54.26 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.776 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.795 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 54.6 Cg_endo -69.27 -55.02 0.21 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.034 1.823 . . . . 0.0 112.825 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.81 -40.49 97.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.004 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.69 -34.71 78.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.07 -45.67 69.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.49 -44.51 96.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.721 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -63.3 -42.43 99.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.745 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.47 -39.67 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -63.6 -45.02 92.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.84 -49.42 77.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.657 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.527 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 81.7 mt -61.12 -34.17 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.087 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 tp -73.7 -29.03 62.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -75.73 -67.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.413 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -153.3 12.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.235 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -69.88 -158.37 2.07 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.74 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 72.16 -22.58 0.21 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 122.61 0.364 . . . . 0.0 111.152 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 41' ' ' GLY . 5.6 p-10 -176.29 78.28 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.7 t -170.97 -56.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 47' ' ' CYS . 42.6 mt-10 -116.85 12.5 14.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 35.4 mmtp 71.99 -25.82 0.18 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.831 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 45' ' ' GLU . 83.5 m 56.67 20.79 5.29 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.682 0.277 . . . . 0.0 111.382 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HG3' ' HB3' ' A' ' 46' ' ' LYS . 52.7 mtmt -85.52 -11.47 54.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.761 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.63 -47.01 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -69.51 -37.02 76.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.067 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.72 -51.33 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 46.4 mt-10 -68.63 -37.62 79.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 4.4 ttmp? -61.52 -33.87 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.273 0.559 . . . . 0.0 109.673 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -71.41 -53.38 14.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.853 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 17.7 pttp -58.13 -33.12 68.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.273 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.634 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 48.9 mt-10 -80.49 -34.43 35.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.2 t -84.6 -13.65 51.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.1 mmt -104.89 -41.21 5.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.634 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -57.51 -25.56 60.0 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.481 -178.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -61.83 -77.85 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.345 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -134.65 5.5 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.492 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.56 -100.86 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.924 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -169.77 176.38 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 111.095 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 55.99 -169.26 0.09 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.019 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.509 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 35.4 t . . . . . 0 CA--C 1.532 0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.298 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 CA-C-O 120.901 0.292 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.582 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 50.4 pttt -171.66 55.9 0.22 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.586 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 7.2 Cg_exo -72.66 103.94 1.64 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.473 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 26.3 m -153.88 12.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.394 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -120.02 9.02 11.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.721 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.6 p -143.3 -23.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.884 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 30.8 p -83.64 141.17 31.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.53 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 24.2 tptm -170.86 -53.29 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.15 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.53 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.9 Cg_endo -75.96 -53.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.17 1.913 . . . . 0.0 112.526 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.44 -30.19 71.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.197 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.42 -45.26 84.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.14 -42.87 79.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.07 -40.55 96.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -66.25 -43.29 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.98 -46.72 88.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -62.01 -40.82 96.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.0 t -59.92 -42.53 94.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.8 mt -76.89 -22.21 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.987 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -72.64 -44.37 61.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.708 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -87.99 -46.45 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -74.79 -64.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.713 0.292 . . . . 0.0 111.103 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.09 -167.0 24.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -80.86 -12.11 59.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.605 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.83 -76.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 t 62.1 -83.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -157.19 55.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.652 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 59.42 89.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p -103.95 18.09 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -66.92 -6.69 17.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.231 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -53.52 -47.75 69.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.25 -32.68 74.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.44 -50.52 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 12.5 pt-20 -68.1 -26.65 65.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 110.562 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.56 -45.19 76.34 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' A' ' 58' ' ' MET . 86.2 t80 -61.66 -56.06 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.121 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 12.4 ptmm? -53.48 -37.46 62.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.456 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.55 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 42.9 tt0 -66.14 -36.92 84.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.9 t -80.89 -13.8 58.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 93.9 mmm -81.19 -61.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.345 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -74.99 -6.99 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -68.68 -21.03 74.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.26 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -130.08 -42.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.603 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.02 104.49 2.87 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.435 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -139.16 -77.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 111.072 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -136.49 76.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.626 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 49.8 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.857 0.274 . . . . 0.0 112.052 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 4.9 tppp? -170.09 -50.64 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.35 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.626 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 87.9 Cg_endo -87.14 164.82 8.5 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.329 2.02 . . . . 0.0 112.687 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.8 t -170.61 9.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.9 m -101.48 10.69 40.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.2 -25.0 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 p -97.05 124.44 41.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.771 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 55.3 mtpt -148.77 -53.88 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.014 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.771 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 25.7 Cg_endo -61.09 -55.74 1.18 Allowed 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.002 1.801 . . . . 0.0 112.879 -179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.39 -34.07 76.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.961 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -66.03 -38.18 87.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.348 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.23 -42.66 79.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.698 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.49 -44.47 97.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -63.1 -50.65 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.04 -42.56 85.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.6 m -62.76 -39.37 93.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 t -64.63 -41.3 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.405 ' O ' ' HA2' ' A' ' 41' ' ' GLY . 69.0 mt -74.55 -23.92 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 38' ' ' LEU . 1.5 tm? -73.08 -47.21 46.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.449 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -80.39 -58.37 3.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.588 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -74.67 -63.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.3 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 37' ' ' ILE . . . 113.98 153.13 10.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.569 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -78.17 3.25 15.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -103.36 0.73 31.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.008 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -97.44 -71.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.051 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 47' ' ' CYS . 9.2 mm-40 -114.15 7.85 16.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.694 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER 67.1 -8.14 0.46 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.577 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 45' ' ' GLU . 34.0 t 53.42 20.61 2.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.75 0.31 . . . . 0.0 111.071 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HA ' HD12 ' A' ' 51' ' ' ILE . 21.8 ptmt -62.52 -30.87 71.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.259 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -58.5 -46.78 85.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -65.46 -32.65 74.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 48' ' ' LYS . 68.7 mt -63.42 -55.69 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.371 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.93 -41.12 97.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.357 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -59.04 -57.37 13.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.933 0.397 . . . . 0.0 109.981 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -55.83 -37.12 68.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.074 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -61.32 -56.68 17.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.259 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.3 -21.98 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.337 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -84.33 -25.03 29.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.195 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.1 mmt -100.89 -66.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.538 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -58.35 -43.66 88.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.704 0.288 . . . . 0.0 111.027 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.55 86.58 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.207 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 55.43 71.66 0.53 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 0.0 110.719 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.57 -102.25 1.08 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.682 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -172.16 -31.82 0.01 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 0.0 111.361 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HB3' ' HG2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -119.78 173.64 6.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.763 -179.18 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 CA--C 1.533 0.326 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.649 179.786 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 94.8 Cg_endo . . . . . 0 N--CA 1.462 -0.349 0 CA-C-O 121.152 0.397 . . . . 0.0 111.841 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 21.1 ptmt -165.97 47.33 0.15 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.536 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 6.0 Cg_exo -35.58 117.03 0.13 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.773 2.982 . . . . 0.0 112.953 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.618 ' SG ' HG12 ' A' ' 25' ' ' VAL . 1.5 p -96.58 -160.92 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.404 ' H ' ' HB2' ' A' ' 23' ' ' CYS . 80.6 m -74.43 -21.87 59.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.969 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.618 HG12 ' SG ' ' A' ' 23' ' ' CYS . 4.8 p -70.93 -6.76 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.915 0.388 . . . . 0.0 111.274 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.6 m -74.45 -0.9 18.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.19 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 75.7 mmtt 62.66 161.91 0.12 Allowed Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.377 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 30.9 Cg_endo -63.45 -18.13 63.16 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.636 2.224 . . . . 0.0 112.402 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -46.27 -39.95 10.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.35 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 22' ' ' PRO . 37.7 ttpt -62.54 -48.26 80.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.7 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.1 -40.36 85.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.11 -35.45 79.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.729 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -63.33 -52.52 61.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.461 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.8 -42.42 93.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.564 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -61.31 -38.16 85.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.713 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.77 -47.52 80.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.572 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.3 mt -71.9 -20.67 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.227 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 tt -76.69 -48.1 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -86.36 -58.06 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.45 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.78 -63.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.787 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.35 168.69 13.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.672 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -77.57 -13.77 59.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.006 0.431 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -82.71 -23.2 34.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.993 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.6 m -58.03 101.28 0.07 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.431 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 17.4 mm-40 61.16 -94.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.646 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 6.2 mmtm -155.6 -33.35 0.09 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.656 0.265 . . . . 0.0 111.195 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.5 m 56.49 21.7 5.87 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.776 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -72.9 -26.04 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.132 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.7 -39.48 80.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -69.43 -33.98 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.17 -52.84 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.25 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.19 -43.03 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -62.45 -51.41 67.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.457 ' O ' ' HG2' ' A' ' 58' ' ' MET . 91.7 t80 -54.04 -61.26 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -51.64 -44.11 62.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.82 -34.14 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.717 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.9 m -83.71 -17.65 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 34.2 mmt -84.67 -71.89 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -6.53 40.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.333 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.98 -19.66 65.95 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.15 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -128.13 -51.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.503 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.77 105.77 3.0 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.828 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -170.4 -15.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.729 0.299 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.613 ' HG3' ' H ' ' A' ' 65' ' ' VAL . 3.6 tp10 -152.67 -167.4 2.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.613 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 69.9 t . . . . . 0 N--CA 1.464 0.264 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.162 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.489 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 71.2 Cg_endo . . . . . 0 N--CA 1.464 -0.262 0 CA-C-O 120.683 0.201 . . . . 0.0 112.231 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.642 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 58.7 pttt -173.49 49.4 0.09 OUTLIER Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.378 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.642 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 41.3 Cg_endo -91.67 -75.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.606 2.204 . . . . 0.0 112.466 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.2 t 57.54 17.66 4.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p -111.1 -4.33 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -115.25 6.49 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.39 140.17 46.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 87.4 tttt -168.84 -51.95 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.26 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 59.1 Cg_endo -72.45 -53.35 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.121 1.881 . . . . 0.0 112.392 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.46 -33.13 70.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.727 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -68.29 -41.21 81.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.786 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.71 -43.44 93.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.7 -44.58 93.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.91 -55.68 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.449 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.69 -51.41 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.42 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.4 m -53.81 -44.85 70.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -58.97 -49.77 76.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -70.61 -16.88 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.147 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -49.0 18.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.73 -21.22 28.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.789 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -105.05 -64.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.685 0.278 . . . . 0.0 111.303 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.01 174.89 14.4 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -73.49 -13.35 61.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.686 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.72 103.46 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -168.61 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.604 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.15 16.91 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.577 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 12.1 mptt 60.92 90.01 0.07 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 p -81.66 12.71 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.005 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' NZ ' ' HB2' ' A' ' 48' ' ' LYS . 4.6 ttmp? -58.56 -24.03 59.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.12 -43.64 95.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.06 -33.3 75.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.07 -58.64 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.79 -34.32 69.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.783 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -66.59 -49.07 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.541 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -56.63 -59.69 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.632 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -49.89 -56.95 8.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.528 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 11.2 tp10 -59.28 -30.33 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.572 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.02 -13.74 49.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.301 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.597 ' HB3' ' HB3' ' A' ' 64' ' ' GLU . 24.9 mmt -104.92 -18.54 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 56' ' ' GLU . 13.2 pttt -102.81 -36.88 8.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.67 0.271 . . . . 0.0 110.974 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.36 87.76 0.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.806 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 62.03 17.15 8.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.809 0.337 . . . . 0.0 110.698 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.97 -128.92 0.16 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.541 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -175.51 -23.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 111.002 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 0.7 OUTLIER -57.48 -82.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.632 -179.815 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 CA--C 1.53 0.206 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.245 179.81 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo . . . . . 0 N--CA 1.457 -0.673 0 CA-C-O 120.794 0.247 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 10.3 mtmp? 57.59 85.93 0.18 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG3' ' HE2' ' A' ' 30' ' ' LYS . 9.6 Cg_endo -51.45 155.83 6.71 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.869 2.379 . . . . 0.0 112.632 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 25' ' ' VAL . 2.3 p -115.89 -69.63 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.049 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.1 p -172.7 -31.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 ' SG ' ' A' ' 23' ' ' CYS . 23.3 m -59.63 -18.85 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.324 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 m -62.57 117.45 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.595 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' H ' ' HE1' ' A' ' 58' ' ' MET . 35.4 mmtp -56.67 156.66 11.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.667 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.39 -18.52 14.88 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.924 2.416 . . . . 0.0 112.558 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -46.02 -41.53 12.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HE2' ' HG3' ' A' ' 22' ' ' PRO . 63.5 tttp -60.15 -43.16 95.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.45 -46.48 89.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.812 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.63 -40.38 87.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -61.62 -46.6 89.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.436 . . . . 0.0 110.415 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 15.6 t70 -55.45 -56.79 16.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.743 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.432 HG22 ' HE2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -51.99 -45.58 64.56 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.692 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 53.7 t -52.87 -43.56 66.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.048 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.49 -25.24 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.835 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 34' ' ' ASP . 73.4 mt -64.64 -53.6 45.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.628 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' HE2' HG22 ' A' ' 35' ' ' THR . 15.0 p90 -91.59 -41.44 10.77 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 36' ' ' CYS . 95.4 m-20 -84.39 -64.32 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.61 -169.09 18.59 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.727 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -99.79 -0.33 40.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.617 0.246 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.5 13.12 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.322 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -56.77 -51.95 66.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.192 0.52 . . . . 0.0 110.186 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 23.5 mm-40 -142.87 -77.46 0.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.05 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 17.0 mmtp -166.67 86.87 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.9 p -99.71 8.61 44.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.64 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -67.44 -23.82 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.801 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -58.93 -45.21 90.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.073 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -61.48 -33.74 74.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.7 -50.4 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -59.82 -40.6 88.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.979 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.61 -39.72 88.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.777 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' O ' ' HG2' ' A' ' 58' ' ' MET . 75.4 t80 -59.24 -61.41 2.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.325 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -51.34 -50.81 58.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.325 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 39.7 tt0 -57.3 -39.57 76.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.777 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.29 -10.41 56.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.826 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.574 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . 25.9 mmt -104.98 -12.68 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 10.8 ptmt -95.17 -28.32 15.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.764 0.316 . . . . 0.0 111.2 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.1 -77.65 0.84 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.163 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -107.76 14.74 25.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 0.0 110.458 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.574 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -81.81 -131.19 1.32 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.72 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 t80 176.57 -31.35 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.745 0.307 . . . . 0.0 110.965 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -105.84 103.77 13.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.491 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.533 0.3 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.83 179.588 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.515 ' HD2' ' HD3' ' A' ' 22' ' ' PRO . 53.5 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 CA-C-O 121.099 0.374 . . . . 0.0 111.748 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.567 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 54.6 pttt -169.03 54.78 0.25 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.909 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.567 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 68.5 Cg_endo -93.24 135.48 1.17 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.167 2.578 . . . . 0.0 113.169 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 7.5 t -174.11 16.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.9 m -103.11 -12.44 17.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.795 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 2.2 t -129.47 12.89 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 17.5 p -138.3 153.79 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 23.9 tptm -173.27 -55.05 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.589 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 83.8 Cg_endo -75.9 -35.27 2.62 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.066 1.844 . . . . 0.0 112.703 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.81 -52.03 61.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.306 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -53.73 -39.36 65.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.135 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.78 -38.48 86.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.3 -58.01 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.99 -43.13 86.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -53.91 -55.42 27.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.5 m -54.67 -46.5 74.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 t -56.02 -38.45 70.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.9 mt -74.77 -27.35 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.025 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.92 -38.29 69.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.391 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -89.0 -30.16 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.746 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -98.61 -64.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.663 0.268 . . . . 0.0 111.28 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.65 174.48 13.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.658 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -77.54 -5.05 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 0.0 111.195 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -157.06 95.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.4 t -170.82 117.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.39 20.68 4.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER 59.48 88.82 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.888 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 81.3 m -85.26 12.45 8.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -72.68 -6.82 47.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.55 -45.32 92.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.27 -38.25 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' TYR . 71.6 mt -62.66 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.992 0.425 . . . . 0.0 110.812 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.04 -51.74 66.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.565 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -54.12 -36.97 63.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.228 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.468 ' O ' ' HG2' ' A' ' 58' ' ' MET . 16.2 t80 -60.07 -61.2 2.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.818 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -54.15 -57.06 12.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.708 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.75 -35.35 63.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.2 p -84.81 -14.53 47.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.713 0.292 . . . . 0.0 111.13 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 25.5 mmt -98.42 -73.83 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.754 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -67.57 -6.57 20.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.631 0.253 . . . . 0.0 111.625 -179.63 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.18 -14.1 31.15 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.626 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -137.18 -34.95 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 110.677 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 59' ' ' LYS . . . -167.68 -105.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.234 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.426 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 28.4 t80 57.0 174.55 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.807 0.336 . . . . 0.0 111.205 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 22' ' ' PRO . 8.5 mm-40 -107.37 108.7 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.261 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.539 179.615 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.54 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . 52.1 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 CA-C-O 120.979 0.325 . . . . 0.0 111.694 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 20' ' ' PRO . 10.0 mptt -136.55 68.85 60.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.707 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.36 166.06 15.99 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.857 2.371 . . . . 0.0 113.03 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 4.6 t 65.06 -172.97 0.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.024 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t 66.62 0.89 1.97 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 t -141.24 -27.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 28.0 p -96.86 138.54 34.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.063 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 23.8 tptm -172.62 -51.31 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.199 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.575 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.1 Cg_endo -75.31 -43.58 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.055 1.837 . . . . 0.0 112.546 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -64.76 -50.08 68.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -59.75 -36.58 76.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.24 -54.53 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.84 -29.07 69.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.154 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -68.57 -58.24 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -58.29 -36.48 73.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.7 m -64.36 -48.64 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.7 t -58.04 -46.8 84.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.546 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 67.2 mt -62.8 -50.33 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.916 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.45 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.978 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -81.75 -72.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 44' ' ' SER . 42.7 m-80 -141.82 38.88 1.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -112.03 -139.38 7.7 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.644 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 41' ' ' GLY . 35.7 tt0 71.52 -21.91 0.2 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.46 0.304 . . . . 0.0 111.707 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' A' ' 41' ' ' GLY . 4.5 p-10 -173.74 30.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.647 0.26 . . . . 0.0 111.221 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' A' ' 40' ' ' ASN . 69.5 m -129.97 128.48 42.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 110.993 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 60.89 10.11 2.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.318 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm 60.38 91.14 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.077 0.465 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.42 -7.53 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.408 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -60.63 -14.68 21.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.9 -46.96 87.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -62.16 -34.88 77.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.815 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.04 -48.8 84.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.678 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -58.55 -45.32 89.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.595 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -60.01 -40.68 90.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.378 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.423 ' O ' ' HG2' ' A' ' 58' ' ' MET . 80.0 t80 -56.86 -57.11 13.91 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.306 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -52.1 -55.49 20.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.544 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.94 -24.37 57.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.91 -24.19 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.181 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.5 ' HE2' ' HB2' ' A' ' 64' ' ' GLU . 71.2 mmm -87.33 -57.97 2.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -61.95 -19.24 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.28 -26.96 69.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.311 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -114.62 -59.07 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 110.629 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.26 91.79 1.78 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.73 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -155.08 -54.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.019 0.437 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.5 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 48.1 mt-10 -106.71 167.62 9.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.651 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 CA--C 1.531 0.248 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.134 -179.875 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.457 -0.663 0 CA-C-O 120.852 0.272 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -168.77 82.0 0.72 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.978 179.554 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -44.44 122.24 3.73 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.897 2.398 . . . . 0.0 112.995 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.603 ' SG ' HG22 ' A' ' 25' ' ' VAL . 1.8 p -98.63 -159.65 0.75 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.034 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' H ' ' HB2' ' A' ' 23' ' ' CYS . 28.3 p -86.38 -14.64 42.85 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.603 HG22 ' SG ' ' A' ' 23' ' ' CYS . 3.2 m -66.76 -24.14 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 111.023 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.9 p -136.32 131.13 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 39.6 ttpt -167.02 -50.25 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.397 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 35.3 Cg_exo -60.41 -31.64 92.89 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.024 1.816 . . . . 0.0 112.126 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.34 -51.17 70.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -57.95 -38.82 76.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.179 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.33 -44.18 95.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.66 -43.2 99.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.103 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -60.36 -54.86 40.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.89 -44.9 82.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.293 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.6 m -57.85 -45.58 86.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.177 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.06 -44.19 97.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.505 HG23 ' HA ' ' A' ' 42' ' ' GLN . 69.6 mt -71.03 -21.19 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -50.7 14.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.29 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -80.04 -51.77 8.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.666 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.56 -63.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.14 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.03 -178.37 22.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.505 ' HA ' HG23 ' A' ' 37' ' ' ILE . 5.3 pm0 -62.49 -17.13 58.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.797 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -152.85 -80.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.766 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 m 49.0 -90.79 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.473 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -95.22 30.55 2.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.994 0.426 . . . . 0.0 110.53 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 3.3 mptp? 60.77 87.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.147 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.3 m -92.45 10.5 29.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.597 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.27 -23.78 62.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.811 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -52.64 -41.48 63.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -66.04 -32.44 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.249 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.09 -52.73 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.259 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -43.27 99.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.084 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.99 -49.58 76.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -55.82 -61.25 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.041 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -51.06 -53.99 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.625 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HA ' ' HZ2' ' A' ' 59' ' ' LYS . 44.4 mt-10 -59.06 -31.12 68.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.66 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.8 m -84.56 -15.26 46.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.738 0.304 . . . . 0.0 111.093 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.5 mmt -92.43 -70.07 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.369 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.42 ' HZ2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -73.87 -21.27 60.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.393 -179.457 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.74 -56.45 19.02 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.686 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -151.18 -0.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.781 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.51 -106.5 0.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 113.121 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -169.75 179.37 3.73 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 62.4 -172.59 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.699 0.285 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 CA--C 1.533 0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.178 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo . . . . . 0 N--CA 1.461 -0.433 0 CA-C-O 120.75 0.229 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 62.4 90.28 0.09 OUTLIER Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.017 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.89 108.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.795 2.33 . . . . 0.0 112.734 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.449 ' SG ' HG22 ' A' ' 25' ' ' VAL . 2.2 p -61.11 -87.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.74 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.6 m -145.41 -37.79 0.27 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.634 0.254 . . . . 0.0 111.239 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.449 HG22 ' SG ' ' A' ' 23' ' ' CYS . 28.3 m -54.37 -31.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.399 . . . . 0.0 111.134 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -112.8 119.39 37.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.659 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.664 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 88.1 tttt -161.13 -53.06 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.8 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.664 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 16.5 Cg_endo -58.26 -42.41 56.63 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.876 1.717 . . . . 0.0 112.263 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.21 -47.36 83.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -58.95 -44.99 91.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -55.97 -46.43 78.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.654 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.84 -40.5 93.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.17 -50.68 72.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -59.67 -33.96 72.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.0 m -64.68 -50.63 66.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.668 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -54.68 -50.03 69.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.228 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.33 -41.12 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.609 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.65 -34.6 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.326 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.57 -75.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.982 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -153.17 12.11 0.48 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.068 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 43' ' ' ASP . . . -63.51 -12.42 46.1 Favored Glycine 0 CA--C 1.511 -0.181 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.994 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.91 4.44 0.64 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.516 0.198 . . . . 0.0 111.245 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 41' ' ' GLY . 27.8 t70 -167.09 -36.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.585 0.231 . . . . 0.0 111.436 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -49.12 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.43 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -104.15 8.0 36.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.145 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 13.1 mptt 59.75 11.73 2.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.189 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.1 p 50.29 20.53 0.66 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.674 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 62.2 mttp -92.97 -26.64 17.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.43 -46.67 82.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.84 -36.83 84.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.282 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.21 -46.52 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.33 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.67 -48.41 72.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.39 -36.27 71.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.154 0.502 . . . . 0.0 109.984 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -64.35 -59.82 3.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.314 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -55.43 -28.51 54.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.659 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.682 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.4 tt0 -73.06 -43.42 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.681 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -84.49 -9.67 58.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.829 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.533 ' HB3' ' HB3' ' A' ' 63' ' ' PHE . 25.4 mmt -100.58 -30.74 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.682 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 9.1 ptmt -61.63 -21.98 64.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.76 0.314 . . . . 0.0 111.04 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.64 60.77 4.78 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.685 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 56.32 17.83 3.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.68 0.276 . . . . 0.0 111.187 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.68 -25.93 28.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.533 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 47.5 t80 -171.62 133.98 0.81 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.786 0.326 . . . . 0.0 110.8 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.52 141.87 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.2 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.572 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.484 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 94.1 Cg_endo . . . . . 0 N--CA 1.458 -0.564 0 CA-C-O 121.092 0.372 . . . . 0.0 112.133 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 54.3 tptt -176.31 79.72 0.28 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.999 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -40.02 92.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.173 2.582 . . . . 0.0 113.417 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.409 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 5.1 m -162.73 177.69 9.13 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.245 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.7 m 62.63 17.35 9.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.697 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 p -168.0 -35.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.726 0.298 . . . . 0.0 111.35 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 28.1 p -76.34 124.42 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 5.1 tmtp? -164.38 -55.04 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.829 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.565 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.0 Cg_endo -76.25 -41.7 0.46 Allowed 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.018 1.812 . . . . 0.0 112.021 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.9 -50.04 73.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.187 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 60.7 pttt -56.28 -34.53 66.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.966 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.7 -49.67 57.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.04 -46.56 89.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -60.94 -39.43 89.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.544 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.65 -45.85 90.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.1 m -59.99 -42.78 94.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.528 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.94 -34.55 77.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.259 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 41' ' ' GLY . 96.9 mt -73.78 -28.14 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.347 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -46.69 62.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.981 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -73.24 -51.16 18.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.848 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -74.32 -64.44 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.518 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 37' ' ' ILE . . . 159.12 172.83 26.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.574 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -71.11 -11.78 61.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.661 0.267 . . . . 0.0 111.162 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -167.92 119.04 0.83 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.018 0.437 . . . . 0.0 111.327 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -169.4 11.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.477 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 57.06 27.05 12.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -93.13 -34.13 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.184 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 p -95.07 12.92 26.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.99 -33.13 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -58.63 -40.75 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.032 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -65.11 -33.31 75.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.67 -52.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.64 -45.8 92.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.52 -37.2 77.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.614 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.484 ' O ' ' HG2' ' A' ' 58' ' ' MET . 80.4 t80 -60.98 -58.15 9.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.365 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 67.1 mttm -49.68 -56.06 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.462 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.511 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 12.7 pt-20 -60.57 -29.81 69.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.4 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.0 t -78.96 -17.66 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.743 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 32.7 mmt -88.03 -66.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.356 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.33 -15.3 15.42 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.828 0.346 . . . . 0.0 111.164 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.46 53.98 4.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.157 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.2 t80 59.02 85.86 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.911 0.386 . . . . 0.0 110.732 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.89 -36.76 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -156.4 155.05 31.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.364 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 20' ' ' PRO . 11.7 pt-20 -68.01 132.44 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.233 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t . . . . . 0 CA--C 1.533 0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.783 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.2 p -82.82 173.43 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -150.09 146.29 26.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.771 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.6 p -68.93 -64.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -149.32 145.01 26.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -153.09 -51.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.53 119.54 8.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -86.65 134.28 33.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -78.18 -64.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.752 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 59.7 100.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.8 175.12 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -91.55 170.41 9.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -65.97 -68.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.38 -64.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.024 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -168.31 137.91 2.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.4 t 60.37 100.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.192 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -59.47 -37.47 78.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 t70 60.48 175.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.046 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 62.12 100.39 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.6 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 67.3 Cg_endo -75.14 -80.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.352 2.035 . . . . 0.0 112.166 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 17.3 ptmt -144.87 55.5 3.14 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.553 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -23.91 91.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 124.981 3.788 . . . . 0.0 113.508 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.567 ' SG ' HG12 ' A' ' 25' ' ' VAL . 24.6 p -67.71 -159.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.167 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.72 -19.99 47.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.973 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.567 HG12 ' SG ' ' A' ' 23' ' ' CYS . 1.2 p -65.49 -18.92 24.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 110.974 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.6 p -126.26 114.89 18.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.729 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 56.1 tptt -161.02 -50.94 0.01 OUTLIER Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.84 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.729 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 19.9 Cg_endo -60.74 -55.51 1.37 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.045 1.83 . . . . 0.0 113.063 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -31.59 65.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.825 0.345 . . . . 0.0 110.776 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -64.35 -44.14 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.275 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.43 -34.77 78.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.359 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.07 -37.09 83.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -68.98 -45.69 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.789 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.39 -44.24 97.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.734 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.9 m -63.89 -40.65 97.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.6 t -61.29 -43.88 98.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.38 -24.38 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -52.4 20.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.297 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -74.64 -42.59 58.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.636 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -74.77 -64.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 111.299 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 43' ' ' ASP . . . 117.82 20.06 4.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.419 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 65.26 -7.9 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.725 0.298 . . . . 0.0 110.989 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 41' ' ' GLY . 6.6 p-10 -83.14 6.95 17.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -109.62 100.32 9.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 58.53 17.66 5.12 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 61.89 7.28 1.97 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.7 t 54.22 24.39 4.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 51' ' ' ILE . 39.6 ttpt -70.54 -18.74 62.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.71 -47.48 85.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -68.07 -32.82 73.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 48' ' ' LYS . 80.6 mt -64.85 -44.4 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -69.07 -48.28 63.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -57.48 -37.36 72.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.077 0.465 . . . . 0.0 110.445 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -67.6 -56.62 8.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.394 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -57.78 -27.65 63.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.625 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.6 tt0 -78.9 -34.81 44.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.425 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.5 t -84.49 -14.37 49.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.709 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.457 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . 23.3 mmt -101.04 -39.25 7.81 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.625 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -67.18 -20.09 65.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.503 -179.372 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.465 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -105.77 97.7 1.32 Allowed Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.592 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 55.64 17.73 2.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -82.89 -94.48 0.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.43 ' HB2' HG11 ' A' ' 25' ' ' VAL . 16.8 t80 -141.64 -90.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.605 0.24 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.437 ' HG3' ' HG3' ' A' ' 20' ' ' PRO . 10.5 pt-20 -171.52 139.66 1.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 58.8 t -140.37 126.83 11.96 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.678 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 19.9 Cg_exo -65.54 -59.26 0.15 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.442 2.095 . . . . 0.0 112.272 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.6 m 60.3 -178.12 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.265 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -116.32 -13.15 11.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.093 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.4 mtt . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.735 0.302 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.6 p -128.01 145.41 50.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.56 -73.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 p -142.22 -65.26 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -108.08 115.47 30.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -110.68 -26.46 9.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.124 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -159.37 127.46 4.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.718 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 35.6 tt0 61.72 105.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.165 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.69 133.2 49.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.984 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -104.06 121.56 43.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -70.22 115.0 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -148.22 143.01 26.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -142.25 -35.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.03 -70.48 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -138.5 -176.98 4.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.3 t 58.02 97.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -120.71 145.64 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.677 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 57.02 -160.3 0.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.654 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 61.53 102.83 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.74 ' HG3' ' H ' ' A' ' 65' ' ' VAL . 23.6 Cg_endo -93.72 20.74 0.66 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 123.097 2.532 . . . . 0.0 111.997 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt 61.48 63.93 2.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.675 -178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.567 ' HD3' ' HD2' ' A' ' 20' ' ' PRO . 32.1 Cg_endo -62.91 115.34 2.88 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.938 2.425 . . . . 0.0 112.417 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.5 m -161.79 17.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.197 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.2 t -108.82 2.52 21.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -159.48 -32.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.602 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.7 p -63.49 140.38 58.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.581 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 38.1 ttpt -165.86 -53.38 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.436 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.581 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 70.4 Cg_endo -75.13 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.058 1.839 . . . . 0.0 112.475 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.05 -27.22 68.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.01 -56.38 10.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.24 -40.28 93.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.455 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.55 -45.21 91.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.49 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -63.49 -51.57 64.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.259 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.18 -42.17 80.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.962 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.2 m -62.14 -42.95 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.81 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -61.08 -46.15 91.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.7 mt -71.74 -21.61 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.87 -47.01 41.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -85.55 -57.57 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.461 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -75.12 -63.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.075 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.34 -179.19 16.49 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -77.1 -7.24 55.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -131.37 94.35 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.993 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.0 t -171.16 96.65 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.703 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 56.52 22.72 6.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 59.88 88.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.6 p -83.11 18.56 1.65 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -66.46 -11.31 51.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.163 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.91 -42.5 80.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.013 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -64.08 -44.77 91.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.115 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.04 -56.87 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.252 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -55.11 -40.21 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.6 -41.46 98.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.443 ' O ' ' HG2' ' A' ' 58' ' ' MET . 79.9 t80 -58.87 -58.71 7.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.476 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -52.16 -42.43 63.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.485 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 41.4 tt0 -64.76 -32.89 74.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.343 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.2 t -84.3 -16.74 41.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.363 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 96.1 mmm -84.74 -56.65 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.97 -9.8 42.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.663 0.268 . . . . 0.0 111.456 -179.1 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.17 -16.11 59.58 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -123.93 -25.99 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.2 25.95 15.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.315 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -103.17 127.25 50.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.66 0.267 . . . . 0.0 110.548 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 60.36 -165.8 0.2 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.614 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.74 ' H ' ' HG3' ' A' ' 20' ' ' PRO . 40.7 t 64.39 106.23 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.094 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 6.2 Cg_exo -74.6 -23.37 14.78 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.846 2.364 . . . . 0.0 112.331 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.5 p -89.97 144.67 25.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.952 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.98 178.95 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.871 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 t -100.72 138.18 38.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -138.82 -70.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 p 42.87 -96.33 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.061 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -129.07 164.82 22.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.544 0.212 . . . . 0.0 110.745 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 64.39 118.08 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -153.81 128.35 9.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -90.07 -4.53 57.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.77 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -95.29 126.08 40.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -142.09 116.62 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -79.98 -172.3 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.736 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 61.66 -82.55 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -70.25 99.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.728 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.29 -56.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 62.1 171.27 0.13 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.241 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.5 p -169.16 168.06 10.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.77 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.73 3.74 39.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.87 174.39 5.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.0 tttm 57.3 96.46 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.533 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 95.1 Cg_endo -86.73 -66.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.587 2.191 . . . . 0.0 112.183 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 62.6 tttp -172.49 70.81 0.42 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.584 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.47 87.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.842 2.362 . . . . 0.0 113.067 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -168.91 170.95 8.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.786 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.7 m 63.46 5.36 2.06 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.172 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 m -143.67 -32.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.25 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.7 p -79.67 105.09 10.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.198 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 29.0 mtpp -126.51 -51.8 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.42 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.648 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 15.2 Cg_exo -69.14 -54.58 0.24 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.106 1.871 . . . . 0.0 111.862 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 4.5 tm-20 -56.52 -33.79 66.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.716 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -62.77 -43.19 99.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.622 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -68.71 -35.87 77.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.67 -57.55 7.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -58.09 -42.41 85.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.55 -50.66 72.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -56.3 -40.28 74.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 t -62.51 -43.06 99.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.556 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.66 -32.86 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -69.17 -44.37 72.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -76.09 -71.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.623 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -74.57 -64.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.436 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.95 168.82 11.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.369 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -95.51 2.56 54.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.89 -1.91 27.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -75.97 -71.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -130.75 18.28 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 13.0 mptt 62.87 5.6 1.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.898 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.8 m 53.22 26.48 5.14 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -63.3 -18.62 63.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.57 -44.05 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -68.17 -38.86 82.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.53 -59.35 4.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.16 -42.3 80.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 4.8 ttmp? -60.62 -35.24 75.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.622 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.437 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 36.0 t80 -65.51 -60.95 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.498 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 59' ' ' LYS . 28.1 mtpp -54.12 -30.98 50.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.746 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.463 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 2.2 tm-20 -77.82 -40.88 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.796 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.7 m -84.92 -9.54 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 mmt -104.98 -39.68 6.17 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -61.11 -10.61 6.54 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.89 19.42 11.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.449 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -146.95 -31.69 0.32 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.678 0.275 . . . . 0.0 111.047 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.08 109.08 0.27 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.372 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -135.44 -32.96 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.847 0.356 . . . . 0.0 111.198 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -167.18 -32.11 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.533 ' HA ' ' HG3' ' A' ' 20' ' ' PRO . 1.7 m -47.72 130.96 11.2 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.281 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 19.5 Cg_exo -65.68 -39.78 19.69 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.626 2.218 . . . . 0.0 112.401 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 m -66.84 106.14 1.79 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.966 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -107.6 129.81 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.059 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.906 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.3 p -127.37 149.12 50.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.26 150.42 25.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.6 p -97.82 -65.54 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -133.28 147.99 51.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.82 -17.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -142.65 120.49 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.095 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 61.73 111.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.384 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -68.19 -179.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.711 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -121.13 150.71 40.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.13 108.81 3.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -87.64 99.13 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.819 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -164.35 -76.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.772 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.71 -70.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.99 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -85.78 179.67 7.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.738 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.8 t -144.8 13.63 1.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 55.42 -167.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.7 167.07 9.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.736 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 86.4 tttt 60.06 101.62 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.547 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 51.5 Cg_endo -69.63 -73.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.389 2.06 . . . . 0.0 112.024 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.659 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 23.2 pttm -164.91 49.41 0.21 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.609 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.659 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 35.5 Cg_endo -93.58 -77.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.857 2.371 . . . . 0.0 111.901 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.4 t 54.95 17.08 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.277 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.5 t -111.41 8.28 21.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.51 -29.59 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.128 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.3 127.85 36.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.75 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 50.6 mtpt -142.35 -54.02 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.643 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.75 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.1 Cg_endo -75.25 -52.08 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.079 1.853 . . . . 0.0 112.613 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.99 -35.88 81.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.37 -37.73 85.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.743 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.39 -53.72 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -58.24 -39.66 79.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -64.18 -56.53 14.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.987 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -55.09 -41.84 72.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.5 m -61.26 -45.56 94.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.17 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.1 t -65.27 -32.65 74.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.566 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 93.7 mt -71.86 -35.82 56.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.404 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.3 mt -81.93 -28.46 32.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.613 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -90.04 -64.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -124.45 38.47 4.19 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.566 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -139.58 -154.79 6.42 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.792 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 68.67 -3.93 1.28 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.43 0.292 . . . . 0.0 111.376 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -177.43 -35.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.826 0.345 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.4 m -58.12 -74.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.504 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 47' ' ' CYS . 42.3 mt-10 -113.14 -0.85 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.341 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 67.39 -9.74 0.39 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.87 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 45' ' ' GLU . 68.7 m 54.3 26.74 7.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.44 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 51' ' ' ILE . 55.6 mtpt -55.23 -26.15 37.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.32 -46.27 84.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -69.12 -34.51 75.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.069 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 48' ' ' LYS . 77.0 mt -63.54 -52.82 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.559 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 12.8 pt-20 -68.93 -41.06 78.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.244 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -59.52 -36.21 75.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.183 0.516 . . . . 0.0 110.088 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.29 -54.09 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.575 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 18.1 pttp -56.72 -31.27 64.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.078 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.584 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 48.5 mt-10 -81.08 -34.96 32.3 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.648 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.1 t -83.54 -9.93 58.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.73 0.3 . . . . 0.0 111.205 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.4 mmt -102.05 -44.27 5.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.584 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.2 -17.09 63.75 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.122 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -67.19 -52.37 32.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -163.56 10.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.965 0.412 . . . . 0.0 110.615 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.54 -91.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.426 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -178.13 136.9 0.17 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.861 0.362 . . . . 0.0 111.261 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.487 ' HG3' ' HB3' ' A' ' 22' ' ' PRO . 16.3 mm-40 60.25 -123.11 1.03 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.346 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 58.6 t 65.54 130.17 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 O-C-N 123.014 0.196 . . . . 0.0 111.126 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -83.99 -176.93 2.84 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.848 2.366 . . . . 0.0 112.281 -179.76 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.7 p 48.23 91.27 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.649 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.5 80.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.1 m120 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.746 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.671 0.272 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 51.5 m 60.26 105.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.376 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -79.61 150.37 31.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.7 p -70.96 150.44 45.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.201 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -166.14 109.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.451 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -98.5 90.92 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.208 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt 49.62 97.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.884 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -125.95 102.86 7.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.744 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.424 ' H ' ' H ' ' A' ' 10' ' ' GLN . 11.9 pt-20 -168.49 2.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' H ' ' H ' ' A' ' 9' ' ' GLU . 6.5 tp-100 -67.84 107.25 2.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.994 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -118.54 -37.56 3.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 66.49 135.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -68.56 -8.73 44.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.164 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.27 111.44 9.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -111.56 158.55 19.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m 60.55 97.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.69 170.0 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -145.47 -179.22 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.1 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt 59.21 99.71 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.231 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HB2' ' HB3' ' A' ' 64' ' ' GLU . 42.8 Cg_endo -87.72 29.48 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.859 2.372 . . . . 0.0 111.853 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm 60.79 70.72 0.92 Allowed Pre-proline 0 C--N 1.33 -0.267 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.44 96.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.912 2.408 . . . . 0.0 112.7 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.5 m -167.0 20.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.4 m -111.01 4.0 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.422 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -168.45 -27.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.517 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.24 125.72 24.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.985 0.421 . . . . 0.0 111.058 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.708 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 28.8 mtpp -141.85 -55.57 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.355 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.708 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 87.7 Cg_endo -75.74 -27.35 8.93 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.18 1.92 . . . . 0.0 112.186 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.58 -36.78 85.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -67.96 -36.98 81.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.114 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.03 -49.23 59.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.783 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.01 -52.32 64.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.023 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -56.51 -43.91 80.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.1 -43.66 87.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -58.61 -44.99 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.52 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -60.94 -38.31 85.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.712 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.422 HG23 ' HA ' ' A' ' 42' ' ' GLN . 77.2 mt -72.04 -26.14 24.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 tt -72.2 -48.7 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -77.17 -57.35 3.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.713 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -74.72 -64.05 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.431 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.07 -178.45 23.76 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' HA ' HG23 ' A' ' 37' ' ' ILE . 78.1 mt-30 -76.39 -5.46 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.666 0.27 . . . . 0.0 111.044 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -165.83 118.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.26 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.8 t -171.49 20.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.46 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 61.54 24.36 14.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.66 -36.33 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.233 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.413 ' O ' HG13 ' A' ' 51' ' ' ILE . 71.7 m -77.66 -22.37 50.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.17 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . 8.6 mtpm? -53.89 -33.35 56.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.85 -43.14 84.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.048 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -67.82 -34.75 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 47' ' ' CYS . 70.9 mt -64.61 -56.28 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -59.82 -37.99 80.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.685 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.75 -38.66 91.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.525 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' O ' ' HG2' ' A' ' 58' ' ' MET . 70.8 t80 -63.74 -57.14 10.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.592 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -55.61 -34.71 65.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.492 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.628 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.2 tt0 -77.49 -32.97 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.696 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.6 t -85.48 -12.84 50.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 87.5 mmm -104.32 -37.78 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.628 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -65.26 -7.17 11.91 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.315 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -54.4 -31.96 51.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.523 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.35 -19.87 3.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.776 0.322 . . . . 0.0 110.853 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.16 84.31 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.623 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -85.07 -34.6 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.096 0.475 . . . . 0.0 110.546 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 20' ' ' PRO . 14.2 mm-40 -153.12 -22.07 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' HA ' ' HG3' ' A' ' 20' ' ' PRO . 45.2 t -47.21 113.14 2.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.485 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 20' ' ' PRO . 22.7 Cg_exo -64.73 -63.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.584 2.189 . . . . 0.0 112.343 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.7 m -120.17 163.44 17.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.71 154.92 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.766 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.721 0.296 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -126.91 -16.58 5.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -91.94 110.22 21.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.1 p -97.02 173.58 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -138.14 120.68 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -96.77 -37.0 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -167.63 126.73 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -76.66 171.65 14.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -126.28 -62.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -143.17 106.86 4.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -117.48 -40.75 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -121.23 175.95 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.386 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 70.6 m80 57.38 92.79 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.9 2.16 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.436 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.2 149.61 30.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m 56.94 28.01 14.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.095 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -87.03 -42.45 13.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.072 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 4.7 p-10 -123.49 -175.5 3.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.151 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' H ' HG22 ' A' ' 65' ' ' VAL . 21.0 pttp 39.82 101.26 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.57 0 O-C-N 123.786 0.679 . . . . 0.0 112.394 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.698 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 60.9 Cg_endo -72.68 -38.89 2.87 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.243 1.962 . . . . 0.0 112.124 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.602 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 57.5 tptt -165.94 -50.23 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.591 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 21' ' ' LYS . 5.4 Cg_exo -74.36 -22.59 16.18 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.292 1.994 . . . . 0.0 112.48 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.0 p 52.17 17.9 0.78 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.544 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.8 m 59.32 7.77 0.99 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.739 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.7 t 58.33 100.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.878 0.371 . . . . 0.0 111.153 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -120.79 160.85 22.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.11 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.584 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 39.3 ttpt -171.37 -52.24 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.251 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 58.6 Cg_endo -71.29 -54.79 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.052 1.835 . . . . 0.0 112.422 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -57.82 -45.24 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.33 -37.48 85.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.34 -40.15 95.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.26 -41.77 93.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.463 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -62.38 -45.49 92.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.04 -44.73 94.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.6 m -58.65 -46.19 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.803 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -56.67 -50.46 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.15 -22.46 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 38' ' ' LEU . 3.3 tt -72.76 -41.63 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.555 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -78.15 -63.53 1.37 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.241 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 44' ' ' SER . 2.5 p30 -90.41 -62.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.389 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.34 -171.87 18.08 Favored Glycine 0 N--CA 1.453 -0.172 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -89.14 -8.69 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.677 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -99.94 7.07 45.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.764 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.536 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . 87.6 p -68.72 -150.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.2 37.77 0.27 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 63.75 92.89 0.06 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.008 0.432 . . . . 0.0 111.247 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.27 26.49 1.63 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.678 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -63.3 -10.44 16.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.252 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.11 -41.75 75.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -70.24 -34.15 72.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.2 -53.9 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.32 -46.26 90.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.789 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -58.43 -42.12 86.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.329 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.468 ' O ' ' HG2' ' A' ' 58' ' ' MET . 79.8 t80 -56.35 -54.77 41.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.977 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -54.67 -45.5 73.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.613 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.74 -35.85 66.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.446 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t -78.25 -23.69 47.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 33.6 mmt -69.89 -58.44 3.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.497 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -79.61 -17.79 53.03 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.091 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.71 83.32 1.6 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 33.1 t80 59.92 17.21 6.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.949 0.404 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.44 -93.92 0.02 OUTLIER Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -164.71 -66.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.0 0.429 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -163.93 124.24 2.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.043 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.567 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -158.71 152.03 18.86 Favored Pre-proline 0 CA--C 1.533 0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.575 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.698 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 2.7 Cg_endo -81.24 121.14 3.83 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.884 2.389 . . . . 0.0 112.187 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.0 t -164.57 118.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.85 -176.76 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 45.8 t30 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.015 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.3 m -136.13 -67.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -167.27 -58.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.585 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.7 p -102.79 142.95 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -131.0 10.88 5.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 tptp 62.93 -82.97 0.02 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -67.83 100.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.846 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -120.8 171.93 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -123.19 164.93 17.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.695 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -130.39 105.21 7.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.44 178.3 8.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.971 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -141.87 100.41 3.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -143.51 136.04 27.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.627 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.99 -70.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -152.64 144.99 24.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.043 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.7 t -87.14 123.58 32.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.767 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -148.85 128.15 12.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.527 ' N ' ' HG2' ' A' ' 66' ' ' PRO . 18.6 t70 64.43 115.11 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.213 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt 60.85 98.84 0.04 OUTLIER Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.507 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 58.7 Cg_endo -72.93 -72.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.391 2.061 . . . . 0.0 112.411 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.606 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 8.5 ptpp? -161.09 52.13 0.39 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.68 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.606 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 41.9 Cg_endo -94.28 -70.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.917 2.411 . . . . 0.0 111.964 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.512 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 5.9 t 54.13 23.64 4.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.179 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -112.91 -2.66 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.618 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 m -139.27 -0.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.57 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 32.1 p -116.75 114.92 24.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.693 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 62.3 mttp -147.0 -55.4 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.558 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.693 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.6 Cg_endo -75.79 -33.54 3.78 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.131 1.887 . . . . 0.0 112.759 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -53.56 -42.31 67.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.73 -35.61 80.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.01 -43.76 70.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.45 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -64.34 -54.26 35.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.6 -43.42 68.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.8 m -63.73 -38.16 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.688 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -60.47 -46.43 90.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 42' ' ' GLN . 2.0 mp -70.21 -29.73 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.63 -44.16 78.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.435 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -84.44 -52.65 6.0 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -74.22 -63.09 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.296 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.62 173.71 23.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.838 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HA ' HG23 ' A' ' 37' ' ' ILE . 47.1 mt-30 -58.45 -18.47 28.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.685 0.279 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -170.78 118.06 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.2 m -150.12 36.69 0.68 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.368 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 64.74 26.49 13.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.338 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -124.48 -28.87 3.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.4 m -58.86 -43.82 90.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.33 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -67.01 -25.4 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.201 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.98 -47.15 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.129 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -67.37 -36.7 81.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.394 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.89 -56.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.089 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.92 -37.46 79.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -60.71 -43.72 97.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.256 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' MET . 72.7 t80 -61.39 -61.22 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.739 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -50.45 -51.65 45.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 43.4 tt0 -58.44 -35.28 71.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.436 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.4 t -84.95 -10.37 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.514 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 88.6 mmm -101.82 -26.55 13.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 9.5 ptmt -87.41 -36.19 17.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.825 0.345 . . . . 0.0 110.943 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.16 88.97 1.59 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.802 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 59.25 20.88 9.0 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.897 0.379 . . . . 0.0 110.403 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -66.72 -97.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.733 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -166.47 -76.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.917 0.389 . . . . 0.0 111.455 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 9.7 tp10 -137.0 127.56 26.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.664 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.19 157.79 32.38 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.696 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HG2' ' N ' ' A' ' 18' ' ' ASP . 8.3 Cg_exo -72.57 154.41 54.96 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.633 2.222 . . . . 0.0 112.428 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 t -172.02 169.33 5.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.736 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 57.64 97.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.467 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 t30 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.033 179.847 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 161.17 21.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.239 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.56 -178.14 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.0 p -64.66 -64.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -142.45 161.23 38.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.667 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -133.05 -65.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.722 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 4.1 mptp? -65.58 106.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.671 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HG2' ' HG3' ' A' ' 9' ' ' GLU . 62.2 tt0 -140.97 -58.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG3' ' HG2' ' A' ' 8' ' ' GLN . 44.6 mt-10 -130.33 8.04 5.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.02 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 60.36 104.58 0.02 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.181 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 57.8 -166.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -82.89 6.73 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -60.1 124.99 21.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.77 -11.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.286 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 63.93 158.82 0.09 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.0 t -138.96 110.67 7.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -134.97 -177.8 4.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 35.0 t70 -139.13 145.24 39.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.015 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 23' ' ' CYS . 12.0 mmmm 55.31 89.59 0.1 Allowed Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.673 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 36.9 Cg_endo -72.89 -39.79 2.18 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.159 1.906 . . . . 0.0 112.301 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' H ' ' HD2' ' A' ' 22' ' ' PRO . 4.5 tppp? 179.63 -47.5 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.89 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.673 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 86.0 Cg_endo -78.32 -113.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.309 2.006 . . . . 0.0 112.653 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.448 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . 36.7 t 54.15 25.45 5.69 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.3 t -112.89 -29.51 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.359 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.78 -31.44 44.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.178 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.5 p -60.75 146.65 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.587 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 64.0 tttp -167.38 -50.22 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.395 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 34.1 Cg_exo -60.0 -54.43 2.31 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.022 1.814 . . . . 0.0 112.137 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.82 -29.98 69.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -65.97 -43.11 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.363 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.63 -39.92 84.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.751 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.71 -54.65 39.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' O ' HG12 ' A' ' 37' ' ' ILE . 74.6 ttt180 -55.6 -48.99 73.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.727 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.59 -47.13 67.1 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.661 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.6 m -58.43 -40.93 83.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.276 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.5 t -67.94 -29.05 68.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.531 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 33' ' ' ARG . 33.5 mm -68.2 -44.94 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.1 mt -76.46 -28.31 56.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.66 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -86.33 -20.76 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -121.38 -64.7 1.2 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.665 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 37' ' ' ILE . . . -178.57 175.18 47.23 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.689 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HA ' HG23 ' A' ' 37' ' ' ILE . 6.3 tp-100 -55.87 -18.83 9.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.69 0.281 . . . . 0.0 111.095 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -165.35 -45.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.3 p 48.42 -159.49 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.263 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -121.5 -2.36 9.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 3.2 mptp? -104.26 1.96 31.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.7 t -114.2 -16.52 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.999 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HA ' HD12 ' A' ' 51' ' ' ILE . 7.8 mtpm? -61.87 -23.26 66.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.27 -46.99 84.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -66.76 -32.78 74.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 48' ' ' LYS . 57.6 mt -66.32 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 111.341 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.2 -40.76 82.44 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.994 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.31 -40.58 96.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.226 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -59.8 -60.78 3.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' O ' ' HD2' ' A' ' 59' ' ' LYS . 65.0 mttm -50.78 -57.69 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.559 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.26 -34.65 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.413 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -84.87 -14.8 46.73 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.479 ' HB2' ' HG3' ' A' ' 64' ' ' GLU . 97.1 mmm -104.93 -11.41 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 55' ' ' LYS . 10.5 ptmt -100.6 -14.66 18.08 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.298 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.5 -63.87 4.7 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.234 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -143.34 13.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.512 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.55 -125.1 5.47 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.776 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' PRO . 96.7 m-85 -143.27 134.59 26.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.654 0.264 . . . . 0.0 110.893 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.479 ' HG3' ' HB2' ' A' ' 58' ' ' MET . 0.1 OUTLIER -173.57 -174.74 1.02 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.055 0.455 . . . . 0.0 111.371 179.779 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.53 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 30.0 m -58.84 162.8 6.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.403 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.586 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 1.6 Cg_endo -82.96 -20.77 5.1 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.985 2.457 . . . . 0.0 112.466 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.7 t -68.52 159.52 31.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.237 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -161.86 109.89 1.43 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.5 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.916 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.7 p -130.52 -47.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.4 178.6 7.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.747 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.1 p -133.7 150.87 51.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.5 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -146.85 102.86 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.679 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -124.55 154.01 41.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.79 101.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 55.45 95.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -107.11 124.97 50.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -151.2 111.54 4.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.786 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 63.42 116.27 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.254 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -113.64 139.54 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -133.6 123.74 25.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.713 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.42 -40.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.423 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -65.6 156.0 34.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.3 m 63.51 110.95 0.03 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -143.67 -64.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.992 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.463 ' HA ' ' HG2' ' A' ' 66' ' ' PRO . 16.6 m-20 -119.59 165.92 13.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 4.1 mppt? 60.31 106.79 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.067 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.599 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 57.8 Cg_endo -71.23 -78.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.212 1.941 . . . . 0.0 112.554 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.583 ' HB2' ' HD3' ' A' ' 22' ' ' PRO . 49.2 mmtm -110.16 -49.99 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.844 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.599 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 88.6 Cg_exo -48.28 -81.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.325 2.017 . . . . 0.0 113.031 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 21.0 t 52.68 21.1 1.75 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.859 0.361 . . . . 0.0 111.174 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.0 t -106.32 -32.17 8.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.227 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 t -84.21 53.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.44 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.8 p -168.87 112.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.784 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 99.6 mttt -136.25 -54.27 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.605 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.784 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 58.7 Cg_endo -71.87 -52.76 0.19 Allowed 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.903 1.735 . . . . 0.0 112.1 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.33 -34.95 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.642 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -65.39 -51.42 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.761 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -59.38 -49.55 77.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.265 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.09 -39.23 81.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -62.01 -56.61 17.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.88 -35.93 67.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -61.63 -50.3 73.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.1 t -57.83 -44.14 86.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.786 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.6 mt -69.93 -23.77 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.24 -52.49 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -80.87 -54.66 5.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.845 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -74.74 -64.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.647 0.26 . . . . 0.0 111.305 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.52 179.4 17.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.571 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -62.23 -20.04 63.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.718 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -145.32 -87.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 t 56.24 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -110.53 43.0 1.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 58.98 86.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.008 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.61 9.56 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -76.23 -6.96 53.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.736 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -43.9 82.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.53 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -65.04 -32.68 74.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.747 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.3 mt -64.51 -53.58 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.69 -45.26 92.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.95 -37.02 83.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' MET . 81.3 t80 -62.37 -61.91 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 93.6 mttt -56.98 -34.31 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.63 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.562 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 37.3 tt0 -62.77 -45.66 91.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.382 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.1 m -84.81 -9.34 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.574 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.478 ' HB3' ' HB3' ' A' ' 63' ' ' PHE . 26.3 mmt -101.71 -14.27 17.43 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 8.2 pttp -90.96 -17.21 26.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.05 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.83 -10.89 41.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.65 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -99.74 -33.11 10.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.8 70.33 0.35 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.607 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.478 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 67.2 t80 -142.59 113.77 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.23 130.5 37.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.511 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 15.3 m -118.57 164.06 22.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.567 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 23.4 Cg_exo -65.18 -27.01 56.74 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.392 2.061 . . . . 0.0 112.432 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.6 p -78.28 131.25 36.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -116.92 99.38 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.25 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.819 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -100.93 -61.51 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -85.98 -35.71 20.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.6 p -93.94 158.54 15.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.256 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.18 161.2 28.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -65.22 100.0 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.07 128.71 36.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.115 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -136.89 -52.86 0.7 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.735 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.67 -24.01 67.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.688 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -69.65 135.29 49.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -96.38 4.83 51.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.87 106.95 2.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -139.74 -49.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.27 -42.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -101.44 112.72 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.6 p -131.44 108.25 9.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.737 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -108.42 -50.91 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.051 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -126.54 159.77 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.717 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.6 tttp 56.98 93.69 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 98.1 Cg_endo -90.0 -60.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.789 2.326 . . . . 0.0 112.262 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.528 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 20.9 pttp -175.53 57.06 0.17 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.392 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 31.4 Cg_exo -58.42 85.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.691 2.26 . . . . 0.0 112.637 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -171.62 86.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.2 t -174.07 -32.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.759 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.2 p -133.84 -19.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.3 p -60.74 126.36 27.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.795 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 67.9 mttm -135.74 -54.26 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.776 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.795 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 54.6 Cg_endo -69.27 -55.02 0.21 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.034 1.823 . . . . 0.0 112.825 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.81 -40.49 97.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.004 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.69 -34.71 78.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.07 -45.67 69.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.49 -44.51 96.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.721 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -63.3 -42.43 99.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.745 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.47 -39.67 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -63.6 -45.02 92.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.84 -49.42 77.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.657 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.527 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 81.7 mt -61.12 -34.17 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.087 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 tp -73.7 -29.03 62.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -75.73 -67.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.413 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -153.3 12.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.235 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -69.88 -158.37 2.07 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.74 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 72.16 -22.58 0.21 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 122.61 0.364 . . . . 0.0 111.152 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 41' ' ' GLY . 5.6 p-10 -176.29 78.28 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.7 t -170.97 -56.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 47' ' ' CYS . 42.6 mt-10 -116.85 12.5 14.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 35.4 mmtp 71.99 -25.82 0.18 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.831 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 45' ' ' GLU . 83.5 m 56.67 20.79 5.29 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.682 0.277 . . . . 0.0 111.382 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HG3' ' HB3' ' A' ' 46' ' ' LYS . 52.7 mtmt -85.52 -11.47 54.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.761 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.63 -47.01 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -69.51 -37.02 76.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.067 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.72 -51.33 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 46.4 mt-10 -68.63 -37.62 79.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 4.4 ttmp? -61.52 -33.87 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.273 0.559 . . . . 0.0 109.673 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -71.41 -53.38 14.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.853 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 17.7 pttp -58.13 -33.12 68.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.273 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.634 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 48.9 mt-10 -80.49 -34.43 35.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.2 t -84.6 -13.65 51.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.1 mmt -104.89 -41.21 5.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.634 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -57.51 -25.56 60.0 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.481 -178.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -61.83 -77.85 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.345 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -134.65 5.5 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.492 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.56 -100.86 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.924 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -169.77 176.38 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 111.095 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 55.99 -169.26 0.09 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.019 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.509 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 35.4 t 64.4 120.6 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.298 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.496 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 71.0 Cg_endo -91.83 157.06 3.41 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.851 2.367 . . . . 0.0 112.444 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.3 m -84.17 156.42 22.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.48 155.63 28.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.064 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.7 t30 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.808 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.828 0.347 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.8 m -106.51 -58.15 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -100.64 121.44 41.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.6 p -90.06 -174.8 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.72 106.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.192 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -131.38 -69.55 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -74.72 116.66 15.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.467 ' H ' ' CD ' ' A' ' 8' ' ' GLN . 4.9 pm0 -62.66 147.25 50.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -108.57 -7.11 15.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -103.31 134.77 46.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.024 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -86.57 178.35 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 61.13 101.19 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.087 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -87.28 152.23 22.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.08 -46.24 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 64.06 148.55 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.024 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -100.79 110.57 22.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -130.54 -173.52 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.33 156.38 39.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.992 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 61.05 104.58 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.172 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.618 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 58.8 Cg_endo -91.95 -61.17 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.922 2.414 . . . . 0.0 112.178 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.582 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 50.4 pttt -171.66 55.9 0.22 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.586 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 7.2 Cg_exo -72.66 103.94 1.64 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.473 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 26.3 m -153.88 12.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.394 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -120.02 9.02 11.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.721 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.6 p -143.3 -23.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.884 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 30.8 p -83.64 141.17 31.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.53 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 24.2 tptm -170.86 -53.29 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.15 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.53 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.9 Cg_endo -75.96 -53.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.17 1.913 . . . . 0.0 112.526 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.44 -30.19 71.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.197 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.42 -45.26 84.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.14 -42.87 79.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.07 -40.55 96.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -66.25 -43.29 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.98 -46.72 88.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -62.01 -40.82 96.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.0 t -59.92 -42.53 94.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.8 mt -76.89 -22.21 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.987 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -72.64 -44.37 61.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.708 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -87.99 -46.45 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -74.79 -64.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.713 0.292 . . . . 0.0 111.103 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.09 -167.0 24.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -80.86 -12.11 59.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.605 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.83 -76.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 t 62.1 -83.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -157.19 55.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.652 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 59.42 89.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p -103.95 18.09 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -66.92 -6.69 17.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.231 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -53.52 -47.75 69.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.25 -32.68 74.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.44 -50.52 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 12.5 pt-20 -68.1 -26.65 65.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 110.562 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.56 -45.19 76.34 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' A' ' 58' ' ' MET . 86.2 t80 -61.66 -56.06 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.121 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 12.4 ptmm? -53.48 -37.46 62.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.456 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.55 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 42.9 tt0 -66.14 -36.92 84.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.9 t -80.89 -13.8 58.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 93.9 mmm -81.19 -61.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.345 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -74.99 -6.99 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -68.68 -21.03 74.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.26 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -130.08 -42.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.603 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.02 104.49 2.87 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.435 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -139.16 -77.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 111.072 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -136.49 76.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.493 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -138.89 134.47 17.03 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.618 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -84.47 140.12 8.24 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.941 2.428 . . . . 0.0 112.169 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.4 p -169.88 174.0 5.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.002 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.62 -1.95 0.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.956 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.0 mtm . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.911 0.386 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t -117.48 147.07 43.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.211 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.93 104.61 5.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.4 p -79.32 143.24 35.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -163.31 127.04 2.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.332 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -142.24 -68.08 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.702 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -69.56 121.11 16.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.17 170.67 7.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -76.85 142.19 40.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.53 130.21 43.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.762 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -124.51 -65.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -80.08 126.96 31.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.981 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -91.42 -45.38 8.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.15 119.52 5.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -92.29 -175.01 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.49 145.68 47.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.41 19.92 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.962 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -134.48 17.5 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.987 0.422 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -171.89 114.9 0.41 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.758 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.626 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 49.8 Cg_endo -69.69 -38.24 8.22 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.217 1.944 . . . . 0.0 112.052 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 4.9 tppp? -170.09 -50.64 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.35 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.626 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 87.9 Cg_endo -87.14 164.82 8.5 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.329 2.02 . . . . 0.0 112.687 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.8 t -170.61 9.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.9 m -101.48 10.69 40.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.2 -25.0 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 p -97.05 124.44 41.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.771 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 55.3 mtpt -148.77 -53.88 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.014 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.771 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 25.7 Cg_endo -61.09 -55.74 1.18 Allowed 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.002 1.801 . . . . 0.0 112.879 -179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.39 -34.07 76.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.961 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -66.03 -38.18 87.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.348 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.23 -42.66 79.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.698 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.49 -44.47 97.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -63.1 -50.65 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.04 -42.56 85.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.6 m -62.76 -39.37 93.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 t -64.63 -41.3 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.405 ' O ' ' HA2' ' A' ' 41' ' ' GLY . 69.0 mt -74.55 -23.92 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 38' ' ' LEU . 1.5 tm? -73.08 -47.21 46.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.449 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -80.39 -58.37 3.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.588 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -74.67 -63.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.3 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 37' ' ' ILE . . . 113.98 153.13 10.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.569 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -78.17 3.25 15.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -103.36 0.73 31.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.008 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -97.44 -71.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.051 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 47' ' ' CYS . 9.2 mm-40 -114.15 7.85 16.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.694 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER 67.1 -8.14 0.46 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.577 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 45' ' ' GLU . 34.0 t 53.42 20.61 2.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.75 0.31 . . . . 0.0 111.071 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HA ' HD12 ' A' ' 51' ' ' ILE . 21.8 ptmt -62.52 -30.87 71.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.259 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -58.5 -46.78 85.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -65.46 -32.65 74.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 48' ' ' LYS . 68.7 mt -63.42 -55.69 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.371 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.93 -41.12 97.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.357 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -59.04 -57.37 13.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.933 0.397 . . . . 0.0 109.981 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -55.83 -37.12 68.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.074 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -61.32 -56.68 17.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.259 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.3 -21.98 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.337 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -84.33 -25.03 29.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.195 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.1 mmt -100.89 -66.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.538 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -58.35 -43.66 88.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.704 0.288 . . . . 0.0 111.027 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.55 86.58 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.207 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 55.43 71.66 0.53 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 0.0 110.719 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.57 -102.25 1.08 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.682 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -172.16 -31.82 0.01 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 0.0 111.361 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HB3' ' HG2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -119.78 173.64 6.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.763 -179.18 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.485 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 58.0 t 65.98 132.2 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.649 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 7.3 Cg_exo -74.58 -163.24 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.014 2.476 . . . . 0.0 112.27 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.6 t -117.92 109.29 16.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.21 -12.23 15.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.846 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.7 p -83.08 -51.84 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.253 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.53 103.51 3.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.01 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.5 p -83.01 -64.67 1.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.075 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.38 119.55 23.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -144.77 -59.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 7' ' ' LYS . 3.7 mppt? -62.79 117.77 6.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -85.48 -174.81 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.6 -27.83 65.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 60.26 -175.19 0.11 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.83 158.06 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -94.46 14.37 20.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m80 60.5 98.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.75 -21.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.22 158.0 35.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 p -78.27 158.03 29.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -122.52 -27.5 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.494 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -115.31 -170.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.639 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 pttm 37.92 86.9 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.82 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.625 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 94.8 Cg_endo -84.18 -46.48 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.684 2.256 . . . . 0.0 111.841 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 21.1 ptmt -165.97 47.33 0.15 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.536 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 6.0 Cg_exo -35.58 117.03 0.13 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.773 2.982 . . . . 0.0 112.953 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.618 ' SG ' HG12 ' A' ' 25' ' ' VAL . 1.5 p -96.58 -160.92 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.404 ' H ' ' HB2' ' A' ' 23' ' ' CYS . 80.6 m -74.43 -21.87 59.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.969 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.618 HG12 ' SG ' ' A' ' 23' ' ' CYS . 4.8 p -70.93 -6.76 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.915 0.388 . . . . 0.0 111.274 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.6 m -74.45 -0.9 18.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.19 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 75.7 mmtt 62.66 161.91 0.12 Allowed Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.377 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 30.9 Cg_endo -63.45 -18.13 63.16 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.636 2.224 . . . . 0.0 112.402 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -46.27 -39.95 10.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.35 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 22' ' ' PRO . 37.7 ttpt -62.54 -48.26 80.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.7 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.1 -40.36 85.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.11 -35.45 79.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.729 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -63.33 -52.52 61.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.461 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.8 -42.42 93.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.564 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -61.31 -38.16 85.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.713 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.77 -47.52 80.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.572 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.3 mt -71.9 -20.67 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.227 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 tt -76.69 -48.1 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -86.36 -58.06 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.45 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.78 -63.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.787 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.35 168.69 13.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.672 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -77.57 -13.77 59.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.006 0.431 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -82.71 -23.2 34.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.993 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.6 m -58.03 101.28 0.07 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.431 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 17.4 mm-40 61.16 -94.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.646 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 6.2 mmtm -155.6 -33.35 0.09 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.656 0.265 . . . . 0.0 111.195 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.5 m 56.49 21.7 5.87 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.776 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -72.9 -26.04 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.132 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.7 -39.48 80.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -69.43 -33.98 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.17 -52.84 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.25 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.19 -43.03 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -62.45 -51.41 67.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.457 ' O ' ' HG2' ' A' ' 58' ' ' MET . 91.7 t80 -54.04 -61.26 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -51.64 -44.11 62.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.82 -34.14 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.717 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.9 m -83.71 -17.65 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 34.2 mmt -84.67 -71.89 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -6.53 40.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.333 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.98 -19.66 65.95 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.15 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -128.13 -51.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.503 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.77 105.77 3.0 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.828 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -170.4 -15.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.729 0.299 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.613 ' HG3' ' H ' ' A' ' 65' ' ' VAL . 3.6 tp10 -152.67 -167.4 2.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.613 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 69.9 t 67.6 131.87 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.264 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.162 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.625 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 5.3 Cg_exo -77.46 -23.94 9.54 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.633 2.222 . . . . 0.0 112.148 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.503 ' H ' HG12 ' A' ' 65' ' ' VAL . 53.6 m -87.66 138.47 31.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.225 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 60.36 99.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.364 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 p30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.927 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.775 0.321 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.5 p -74.55 145.78 43.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -85.76 -71.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.699 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.9 p -136.12 -64.55 0.61 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 55.44 21.34 4.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -63.42 149.76 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.788 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.603 ' HD3' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.08 134.59 44.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.095 -179.81 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -119.6 173.96 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -69.65 177.67 2.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.25 151.56 47.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.002 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -103.06 168.82 8.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.55 179.624 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 57.6 -161.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -57.99 157.04 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.95 5.66 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 60.5 178.67 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.71 109.55 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -129.03 15.7 6.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.766 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 63.02 154.29 0.04 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.674 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 66' ' ' PRO . 64.7 tttp 57.29 93.72 0.05 OUTLIER Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.232 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.521 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 71.2 Cg_endo -76.59 -80.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.371 2.047 . . . . 0.0 112.231 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.642 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 58.7 pttt -173.49 49.4 0.09 OUTLIER Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.378 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.642 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 41.3 Cg_endo -91.67 -75.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.606 2.204 . . . . 0.0 112.466 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.2 t 57.54 17.66 4.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p -111.1 -4.33 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -115.25 6.49 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.39 140.17 46.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 87.4 tttt -168.84 -51.95 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.26 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 59.1 Cg_endo -72.45 -53.35 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.121 1.881 . . . . 0.0 112.392 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.46 -33.13 70.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.727 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -68.29 -41.21 81.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.786 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.71 -43.44 93.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.7 -44.58 93.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.91 -55.68 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.449 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.69 -51.41 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.42 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.4 m -53.81 -44.85 70.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -58.97 -49.77 76.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -70.61 -16.88 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.147 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -49.0 18.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.73 -21.22 28.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.789 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -105.05 -64.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.685 0.278 . . . . 0.0 111.303 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.01 174.89 14.4 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -73.49 -13.35 61.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.686 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.72 103.46 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -168.61 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.604 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.15 16.91 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.577 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 12.1 mptt 60.92 90.01 0.07 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 p -81.66 12.71 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.005 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' NZ ' ' HB2' ' A' ' 48' ' ' LYS . 4.6 ttmp? -58.56 -24.03 59.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.12 -43.64 95.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.06 -33.3 75.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.07 -58.64 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.79 -34.32 69.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.783 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -66.59 -49.07 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.541 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -56.63 -59.69 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.632 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -49.89 -56.95 8.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.528 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 11.2 tp10 -59.28 -30.33 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.572 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.02 -13.74 49.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.301 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.597 ' HB3' ' HB3' ' A' ' 64' ' ' GLU . 24.9 mmt -104.92 -18.54 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 56' ' ' GLU . 13.2 pttt -102.81 -36.88 8.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.67 0.271 . . . . 0.0 110.974 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.36 87.76 0.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.806 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 62.03 17.15 8.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.809 0.337 . . . . 0.0 110.698 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.97 -128.92 0.16 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.541 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -175.51 -23.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 111.002 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 0.7 OUTLIER -57.48 -82.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.632 -179.815 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.436 HG12 ' H ' ' A' ' 19' ' ' LYS . 11.6 m -55.52 160.03 4.22 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.245 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.521 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 6.4 Cg_exo -73.73 -174.73 1.79 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.611 2.207 . . . . 0.0 112.117 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.1 t -151.39 21.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.528 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 59.85 93.38 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.198 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.948 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 mtt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.78 0.324 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t -78.63 138.5 38.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -63.81 129.9 41.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.7 p -143.42 -65.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.0 t70 62.42 4.36 1.3 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.246 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.0 tptm 62.34 158.38 0.06 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.91 0.386 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.65 145.18 29.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -81.66 -78.36 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -158.85 -57.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -76.18 134.15 39.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.66 143.91 39.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -92.23 146.5 23.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.023 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.0 m80 56.79 89.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.86 174.78 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.9 129.6 40.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -94.06 103.36 15.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -124.85 -60.14 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.461 ' HA ' ' HG2' ' A' ' 66' ' ' PRO . 13.0 m-20 -138.91 -170.65 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.766 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 3.9 mppt? 59.09 95.65 0.05 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.665 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 84.7 Cg_endo -89.8 63.37 2.11 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.775 2.317 . . . . 0.0 111.93 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 10.3 mtmp? 57.59 85.93 0.18 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG3' ' HE2' ' A' ' 30' ' ' LYS . 9.6 Cg_endo -51.45 155.83 6.71 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.869 2.379 . . . . 0.0 112.632 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 25' ' ' VAL . 2.3 p -115.89 -69.63 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.049 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.1 p -172.7 -31.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 ' SG ' ' A' ' 23' ' ' CYS . 23.3 m -59.63 -18.85 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.324 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 m -62.57 117.45 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.595 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' H ' ' HE1' ' A' ' 58' ' ' MET . 35.4 mmtp -56.67 156.66 11.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.667 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.39 -18.52 14.88 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.924 2.416 . . . . 0.0 112.558 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -46.02 -41.53 12.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HE2' ' HG3' ' A' ' 22' ' ' PRO . 63.5 tttp -60.15 -43.16 95.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.45 -46.48 89.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.812 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.63 -40.38 87.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -61.62 -46.6 89.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.436 . . . . 0.0 110.415 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 15.6 t70 -55.45 -56.79 16.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.743 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.432 HG22 ' HE2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -51.99 -45.58 64.56 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.692 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 53.7 t -52.87 -43.56 66.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.048 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.49 -25.24 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.835 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 34' ' ' ASP . 73.4 mt -64.64 -53.6 45.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.628 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' HE2' HG22 ' A' ' 35' ' ' THR . 15.0 p90 -91.59 -41.44 10.77 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 36' ' ' CYS . 95.4 m-20 -84.39 -64.32 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.61 -169.09 18.59 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.727 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -99.79 -0.33 40.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.617 0.246 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.5 13.12 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.322 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -56.77 -51.95 66.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.192 0.52 . . . . 0.0 110.186 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 23.5 mm-40 -142.87 -77.46 0.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.05 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 17.0 mmtp -166.67 86.87 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.9 p -99.71 8.61 44.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.64 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -67.44 -23.82 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.801 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -58.93 -45.21 90.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.073 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -61.48 -33.74 74.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.7 -50.4 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -59.82 -40.6 88.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.979 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.61 -39.72 88.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.777 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' O ' ' HG2' ' A' ' 58' ' ' MET . 75.4 t80 -59.24 -61.41 2.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.325 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -51.34 -50.81 58.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.325 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 39.7 tt0 -57.3 -39.57 76.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.777 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.29 -10.41 56.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.826 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.574 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . 25.9 mmt -104.98 -12.68 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 10.8 ptmt -95.17 -28.32 15.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.764 0.316 . . . . 0.0 111.2 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.1 -77.65 0.84 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.163 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -107.76 14.74 25.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 0.0 110.458 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.574 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -81.81 -131.19 1.32 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.72 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 t80 176.57 -31.35 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.745 0.307 . . . . 0.0 110.965 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -105.84 103.77 13.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.491 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 67' ' ' SER . 3.0 p -179.23 109.67 0.2 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.83 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.665 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 5.2 Cg_exo -80.2 3.25 7.8 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.783 2.322 . . . . 0.0 112.03 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.418 ' H ' HG22 ' A' ' 65' ' ' VAL . 52.1 m 60.67 179.43 0.1 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.294 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.05 143.57 32.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.04 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.804 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.808 0.337 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.4 p -85.6 121.95 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.058 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -121.83 122.52 39.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.0 p -95.95 177.67 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.298 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -140.43 13.82 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.41 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 58.34 -164.21 0.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.742 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -148.48 123.23 9.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -144.48 149.68 36.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.43 156.24 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -136.55 -176.44 4.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.867 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -119.1 -42.43 2.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.9 t30 61.73 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.047 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -139.72 134.0 31.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.766 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.36 173.34 17.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -96.1 134.38 39.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.9 t -149.68 156.17 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -94.79 -60.34 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -120.95 145.14 48.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.696 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? 59.83 98.57 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.194 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.639 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 53.5 Cg_endo -91.56 -59.57 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.805 2.337 . . . . 0.0 111.748 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.567 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 54.6 pttt -169.03 54.78 0.25 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.909 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.567 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 68.5 Cg_endo -93.24 135.48 1.17 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.167 2.578 . . . . 0.0 113.169 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 7.5 t -174.11 16.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.9 m -103.11 -12.44 17.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.795 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 2.2 t -129.47 12.89 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 17.5 p -138.3 153.79 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 23.9 tptm -173.27 -55.05 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.589 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 83.8 Cg_endo -75.9 -35.27 2.62 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.066 1.844 . . . . 0.0 112.703 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.81 -52.03 61.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.306 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -53.73 -39.36 65.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.135 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.78 -38.48 86.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.3 -58.01 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.99 -43.13 86.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -53.91 -55.42 27.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.5 m -54.67 -46.5 74.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 t -56.02 -38.45 70.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.9 mt -74.77 -27.35 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.025 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.92 -38.29 69.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.391 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -89.0 -30.16 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.746 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -98.61 -64.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.663 0.268 . . . . 0.0 111.28 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.65 174.48 13.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.658 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -77.54 -5.05 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 0.0 111.195 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -157.06 95.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.4 t -170.82 117.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.39 20.68 4.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER 59.48 88.82 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.888 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 81.3 m -85.26 12.45 8.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -72.68 -6.82 47.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.55 -45.32 92.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.27 -38.25 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' TYR . 71.6 mt -62.66 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.992 0.425 . . . . 0.0 110.812 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.04 -51.74 66.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.565 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -54.12 -36.97 63.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.228 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.468 ' O ' ' HG2' ' A' ' 58' ' ' MET . 16.2 t80 -60.07 -61.2 2.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.818 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -54.15 -57.06 12.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.708 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.75 -35.35 63.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.2 p -84.81 -14.53 47.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.713 0.292 . . . . 0.0 111.13 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 25.5 mmt -98.42 -73.83 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.754 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -67.57 -6.57 20.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.631 0.253 . . . . 0.0 111.625 -179.63 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.18 -14.1 31.15 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.626 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -137.18 -34.95 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 110.677 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 59' ' ' LYS . . . -167.68 -105.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.234 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.426 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 28.4 t80 57.0 174.55 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.807 0.336 . . . . 0.0 111.205 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 22' ' ' PRO . 8.5 mm-40 -107.37 108.7 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.261 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 59.6 t -138.38 134.48 17.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.539 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.639 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 11.1 Cg_exo -69.84 170.6 16.29 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.496 2.13 . . . . 0.0 111.989 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.5 m -79.04 155.01 29.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.96 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.43 -5.12 57.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.812 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mmt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.5 t -154.02 155.52 35.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.008 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -101.46 152.12 21.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.948 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -129.3 152.48 48.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -155.11 144.09 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -144.79 105.03 4.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.035 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -68.92 104.14 2.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.693 ' HG2' ' H ' ' A' ' 10' ' ' GLN . 35.9 tt0 -157.07 -80.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.736 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 58.61 25.55 13.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.693 ' H ' ' HG2' ' A' ' 8' ' ' GLN . 85.9 mm-40 -124.14 104.65 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.048 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -105.25 -42.77 5.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.95 126.73 36.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.82 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -87.33 -74.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.2 -36.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.218 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.55 147.7 44.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.013 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.3 p -140.64 14.23 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.76 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.35 173.68 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.074 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -124.82 -162.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.526 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? 39.7 93.44 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.377 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.982 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.686 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 52.1 Cg_endo -89.88 -68.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.84 2.36 . . . . 0.0 111.694 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 20' ' ' PRO . 10.0 mptt -136.55 68.85 60.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.707 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.36 166.06 15.99 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.857 2.371 . . . . 0.0 113.03 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 4.6 t 65.06 -172.97 0.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.024 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t 66.62 0.89 1.97 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 t -141.24 -27.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 28.0 p -96.86 138.54 34.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.063 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 23.8 tptm -172.62 -51.31 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.199 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.575 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.1 Cg_endo -75.31 -43.58 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.055 1.837 . . . . 0.0 112.546 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -64.76 -50.08 68.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -59.75 -36.58 76.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.24 -54.53 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.84 -29.07 69.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.154 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -68.57 -58.24 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -58.29 -36.48 73.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.7 m -64.36 -48.64 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.7 t -58.04 -46.8 84.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.546 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 67.2 mt -62.8 -50.33 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.916 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.45 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.978 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -81.75 -72.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 44' ' ' SER . 42.7 m-80 -141.82 38.88 1.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -112.03 -139.38 7.7 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.644 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 41' ' ' GLY . 35.7 tt0 71.52 -21.91 0.2 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.46 0.304 . . . . 0.0 111.707 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' A' ' 41' ' ' GLY . 4.5 p-10 -173.74 30.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.647 0.26 . . . . 0.0 111.221 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' A' ' 40' ' ' ASN . 69.5 m -129.97 128.48 42.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 110.993 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 60.89 10.11 2.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.318 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm 60.38 91.14 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.077 0.465 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.42 -7.53 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.408 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -60.63 -14.68 21.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.9 -46.96 87.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -62.16 -34.88 77.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.815 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.04 -48.8 84.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.678 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -58.55 -45.32 89.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.595 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -60.01 -40.68 90.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.378 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.423 ' O ' ' HG2' ' A' ' 58' ' ' MET . 80.0 t80 -56.86 -57.11 13.91 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.306 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -52.1 -55.49 20.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.544 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.94 -24.37 57.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.91 -24.19 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.181 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.5 ' HE2' ' HB2' ' A' ' 64' ' ' GLU . 71.2 mmm -87.33 -57.97 2.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -61.95 -19.24 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.28 -26.96 69.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.311 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -114.62 -59.07 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 110.629 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.26 91.79 1.78 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.73 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -155.08 -54.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.019 0.437 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.5 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 48.1 mt-10 -106.71 167.62 9.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.651 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.4 t 61.27 102.75 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.134 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.686 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 2.9 Cg_endo -81.85 -67.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.018 2.479 . . . . 0.0 112.399 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -77.73 171.85 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.041 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.24 -37.89 15.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.0 t30 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.799 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.2 m 65.45 143.22 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.339 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -116.13 116.36 27.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.6 p -116.45 168.15 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -120.12 145.17 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -75.21 -6.21 48.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -63.38 116.14 5.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 55.26 39.8 31.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.94 122.33 11.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.878 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -102.98 -177.24 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.44 136.18 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -71.22 177.3 3.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -128.55 135.43 49.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.44 139.08 17.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.981 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -122.01 20.79 10.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.814 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -142.36 104.74 4.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -109.3 124.03 50.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.002 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 6.9 p-10 -150.53 -171.9 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 19' ' ' LYS . 9.8 mtmp? 59.15 93.91 0.05 OUTLIER Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.665 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 74.2 Cg_endo -87.54 -59.66 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.64 2.226 . . . . 0.0 112.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -168.77 82.0 0.72 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.978 179.554 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -44.44 122.24 3.73 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.897 2.398 . . . . 0.0 112.995 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.603 ' SG ' HG22 ' A' ' 25' ' ' VAL . 1.8 p -98.63 -159.65 0.75 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.034 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' H ' ' HB2' ' A' ' 23' ' ' CYS . 28.3 p -86.38 -14.64 42.85 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.603 HG22 ' SG ' ' A' ' 23' ' ' CYS . 3.2 m -66.76 -24.14 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 111.023 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.9 p -136.32 131.13 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 39.6 ttpt -167.02 -50.25 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.397 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 35.3 Cg_exo -60.41 -31.64 92.89 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.024 1.816 . . . . 0.0 112.126 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.34 -51.17 70.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -57.95 -38.82 76.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.179 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.33 -44.18 95.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.66 -43.2 99.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.103 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -60.36 -54.86 40.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.89 -44.9 82.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.293 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.6 m -57.85 -45.58 86.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.177 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.06 -44.19 97.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.505 HG23 ' HA ' ' A' ' 42' ' ' GLN . 69.6 mt -71.03 -21.19 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -50.7 14.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.29 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -80.04 -51.77 8.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.666 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.56 -63.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.14 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.03 -178.37 22.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.505 ' HA ' HG23 ' A' ' 37' ' ' ILE . 5.3 pm0 -62.49 -17.13 58.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.797 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -152.85 -80.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.766 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 m 49.0 -90.79 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.473 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -95.22 30.55 2.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.994 0.426 . . . . 0.0 110.53 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 3.3 mptp? 60.77 87.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.147 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.3 m -92.45 10.5 29.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.597 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.27 -23.78 62.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.811 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -52.64 -41.48 63.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -66.04 -32.44 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.249 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.09 -52.73 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.259 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -43.27 99.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.084 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.99 -49.58 76.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -55.82 -61.25 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.041 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -51.06 -53.99 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.625 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HA ' ' HZ2' ' A' ' 59' ' ' LYS . 44.4 mt-10 -59.06 -31.12 68.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.66 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.8 m -84.56 -15.26 46.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.738 0.304 . . . . 0.0 111.093 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.5 mmt -92.43 -70.07 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.369 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.42 ' HZ2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -73.87 -21.27 60.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.393 -179.457 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.74 -56.45 19.02 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.686 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -151.18 -0.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.781 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.51 -106.5 0.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 113.121 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -169.75 179.37 3.73 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 62.4 -172.59 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.699 0.285 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.2 t 65.57 107.1 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.178 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.665 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 9.4 Cg_exo -73.26 -168.36 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.803 2.335 . . . . 0.0 112.366 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.0 t -158.13 162.37 37.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.38 107.94 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 m120 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.929 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.808 0.337 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.7 t -85.17 162.57 19.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -76.02 -64.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.2 p -100.84 156.52 17.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -112.46 173.13 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -76.45 -60.08 2.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 59.68 100.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -141.83 -1.49 1.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.791 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.95 136.09 57.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -141.41 131.91 25.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -127.1 -57.89 1.3 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.738 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -113.49 130.69 56.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -85.14 6.68 24.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.071 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.56 -50.17 9.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.08 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 61.24 106.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.301 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.6 p -137.78 92.95 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -168.7 152.25 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -95.15 172.14 8.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.838 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' NZ ' HH12 ' A' ' 33' ' ' ARG . 67.2 mttm 60.77 96.92 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.302 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 63.6 Cg_endo -88.3 46.07 1.1 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.777 2.318 . . . . 0.0 111.922 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 62.4 90.28 0.09 OUTLIER Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.017 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.89 108.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.795 2.33 . . . . 0.0 112.734 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.449 ' SG ' HG22 ' A' ' 25' ' ' VAL . 2.2 p -61.11 -87.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.74 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.6 m -145.41 -37.79 0.27 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.634 0.254 . . . . 0.0 111.239 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.449 HG22 ' SG ' ' A' ' 23' ' ' CYS . 28.3 m -54.37 -31.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.399 . . . . 0.0 111.134 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -112.8 119.39 37.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.659 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.664 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 88.1 tttt -161.13 -53.06 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.8 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.664 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 16.5 Cg_endo -58.26 -42.41 56.63 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.876 1.717 . . . . 0.0 112.263 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.21 -47.36 83.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -58.95 -44.99 91.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -55.97 -46.43 78.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.654 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.84 -40.5 93.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.4 HH12 ' NZ ' ' A' ' 19' ' ' LYS . 57.0 ttp180 -61.17 -50.68 72.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -59.67 -33.96 72.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.0 m -64.68 -50.63 66.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.668 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -54.68 -50.03 69.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.228 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.33 -41.12 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.609 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.65 -34.6 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.326 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.57 -75.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.982 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -153.17 12.11 0.48 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.068 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 43' ' ' ASP . . . -63.51 -12.42 46.1 Favored Glycine 0 CA--C 1.511 -0.181 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.994 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.91 4.44 0.64 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.516 0.198 . . . . 0.0 111.245 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 41' ' ' GLY . 27.8 t70 -167.09 -36.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.585 0.231 . . . . 0.0 111.436 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -49.12 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.43 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -104.15 8.0 36.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.145 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 13.1 mptt 59.75 11.73 2.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.189 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.1 p 50.29 20.53 0.66 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.674 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 62.2 mttp -92.97 -26.64 17.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.43 -46.67 82.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.84 -36.83 84.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.282 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.21 -46.52 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.33 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.67 -48.41 72.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.39 -36.27 71.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.154 0.502 . . . . 0.0 109.984 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -64.35 -59.82 3.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.314 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -55.43 -28.51 54.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.659 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.682 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.4 tt0 -73.06 -43.42 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.681 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -84.49 -9.67 58.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.829 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.533 ' HB3' ' HB3' ' A' ' 63' ' ' PHE . 25.4 mmt -100.58 -30.74 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.682 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 9.1 ptmt -61.63 -21.98 64.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.76 0.314 . . . . 0.0 111.04 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.64 60.77 4.78 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.685 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 56.32 17.83 3.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.68 0.276 . . . . 0.0 111.187 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.68 -25.93 28.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.533 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 47.5 t80 -171.62 133.98 0.81 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.786 0.326 . . . . 0.0 110.8 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.52 141.87 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.2 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 67' ' ' SER . 58.9 t -138.62 132.76 16.51 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.572 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 25.8 Cg_exo -62.49 -36.16 67.15 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.398 2.065 . . . . 0.0 112.166 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.443 ' H ' HG12 ' A' ' 65' ' ' VAL . 36.5 t -61.45 148.44 41.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 59.62 -176.76 0.1 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.291 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.889 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.713 0.292 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.9 m -151.29 -34.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -104.52 -43.32 5.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.3 p -96.2 135.04 38.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.186 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -91.14 -21.67 21.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.707 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.4 tptt 58.4 95.2 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.123 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -148.08 137.02 21.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -122.06 -4.2 9.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.67 147.08 46.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 65.23 123.4 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.401 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -80.57 -178.49 6.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.982 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -99.28 -38.09 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 62.27 109.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.19 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.28 126.05 5.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -121.03 162.25 20.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.0 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.8 m -111.21 12.45 21.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.8 150.71 32.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -123.86 177.01 5.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.759 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 64.91 125.58 0.02 OUTLIER Pre-proline 0 CA--C 1.53 0.181 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.484 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 94.1 Cg_endo -88.22 -64.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.508 2.139 . . . . 0.0 112.133 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 54.3 tptt -176.31 79.72 0.28 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.999 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -40.02 92.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.173 2.582 . . . . 0.0 113.417 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.409 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 5.1 m -162.73 177.69 9.13 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.245 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.7 m 62.63 17.35 9.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.697 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 p -168.0 -35.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.726 0.298 . . . . 0.0 111.35 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 28.1 p -76.34 124.42 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 5.1 tmtp? -164.38 -55.04 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.829 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.565 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.0 Cg_endo -76.25 -41.7 0.46 Allowed 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.018 1.812 . . . . 0.0 112.021 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.9 -50.04 73.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.187 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 60.7 pttt -56.28 -34.53 66.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.966 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.7 -49.67 57.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.04 -46.56 89.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -60.94 -39.43 89.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.544 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.65 -45.85 90.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.1 m -59.99 -42.78 94.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.528 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.94 -34.55 77.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.259 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 41' ' ' GLY . 96.9 mt -73.78 -28.14 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.347 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -46.69 62.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.981 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -73.24 -51.16 18.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.848 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -74.32 -64.44 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.518 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 37' ' ' ILE . . . 159.12 172.83 26.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.574 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -71.11 -11.78 61.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.661 0.267 . . . . 0.0 111.162 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -167.92 119.04 0.83 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.018 0.437 . . . . 0.0 111.327 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -169.4 11.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.477 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 57.06 27.05 12.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -93.13 -34.13 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.184 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 p -95.07 12.92 26.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.99 -33.13 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -58.63 -40.75 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.032 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -65.11 -33.31 75.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.67 -52.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.64 -45.8 92.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.52 -37.2 77.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.614 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.484 ' O ' ' HG2' ' A' ' 58' ' ' MET . 80.4 t80 -60.98 -58.15 9.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.365 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 67.1 mttm -49.68 -56.06 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.462 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.511 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 12.7 pt-20 -60.57 -29.81 69.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.4 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.0 t -78.96 -17.66 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.743 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 32.7 mmt -88.03 -66.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.356 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.33 -15.3 15.42 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.828 0.346 . . . . 0.0 111.164 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.46 53.98 4.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.157 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.2 t80 59.02 85.86 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.911 0.386 . . . . 0.0 110.732 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.89 -36.76 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -156.4 155.05 31.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.364 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 20' ' ' PRO . 11.7 pt-20 -68.01 132.44 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.233 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t -145.27 114.99 4.92 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.35 -57.76 1.8 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.422 2.081 . . . . 0.0 112.394 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m 57.52 22.16 7.81 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.99 101.67 13.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.954 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.3 t30 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.94 -179.871 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 67.3 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.997 0.332 . . . . 0.0 112.166 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.539 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 17.3 ptmt -144.87 55.5 3.14 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.553 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -23.91 91.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 124.981 3.788 . . . . 0.0 113.508 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.567 ' SG ' HG12 ' A' ' 25' ' ' VAL . 24.6 p -67.71 -159.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.167 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.72 -19.99 47.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.973 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.567 HG12 ' SG ' ' A' ' 23' ' ' CYS . 1.2 p -65.49 -18.92 24.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 110.974 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.6 p -126.26 114.89 18.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.729 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 56.1 tptt -161.02 -50.94 0.01 OUTLIER Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.84 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.729 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 19.9 Cg_endo -60.74 -55.51 1.37 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.045 1.83 . . . . 0.0 113.063 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -31.59 65.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.825 0.345 . . . . 0.0 110.776 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -64.35 -44.14 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.275 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.43 -34.77 78.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.359 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.07 -37.09 83.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -68.98 -45.69 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.789 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.39 -44.24 97.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.734 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.9 m -63.89 -40.65 97.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.6 t -61.29 -43.88 98.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.38 -24.38 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -52.4 20.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.297 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -74.64 -42.59 58.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.636 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.77 -64.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 111.299 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 43' ' ' ASP . . . 117.82 20.06 4.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.419 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 65.26 -7.9 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.725 0.298 . . . . 0.0 110.989 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 41' ' ' GLY . 6.6 p-10 -83.14 6.95 17.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -109.62 100.32 9.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 58.53 17.66 5.12 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 61.89 7.28 1.97 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.7 t 54.22 24.39 4.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 51' ' ' ILE . 39.6 ttpt -70.54 -18.74 62.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.71 -47.48 85.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -68.07 -32.82 73.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 48' ' ' LYS . 80.6 mt -64.85 -44.4 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -69.07 -48.28 63.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -57.48 -37.36 72.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.077 0.465 . . . . 0.0 110.445 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -67.6 -56.62 8.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.394 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -57.78 -27.65 63.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.625 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.6 tt0 -78.9 -34.81 44.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.425 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.5 t -84.49 -14.37 49.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.709 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.457 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . 23.3 mmt -101.04 -39.25 7.81 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.625 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -67.18 -20.09 65.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.503 -179.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.465 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -105.77 97.7 1.32 Allowed Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.592 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 55.64 17.73 2.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -82.89 -94.48 0.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.43 ' HB2' HG11 ' A' ' 25' ' ' VAL . 16.8 t80 -141.64 -90.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.605 0.24 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.437 ' HG3' ' HG3' ' A' ' 20' ' ' PRO . 10.5 pt-20 -171.52 139.66 1.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 CA--C 1.531 0.234 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.678 179.705 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.74 ' HG3' ' H ' ' A' ' 65' ' ' VAL . 23.6 Cg_endo . . . . . 0 N--CA 1.459 -0.54 0 CA-C-O 120.68 0.2 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt 61.48 63.93 2.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.675 -178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.567 ' HD3' ' HD2' ' A' ' 20' ' ' PRO . 32.1 Cg_endo -62.91 115.34 2.88 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.938 2.425 . . . . 0.0 112.417 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.5 m -161.79 17.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.197 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.2 t -108.82 2.52 21.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -159.48 -32.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.602 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.7 p -63.49 140.38 58.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.581 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 38.1 ttpt -165.86 -53.38 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.436 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.581 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 70.4 Cg_endo -75.13 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.058 1.839 . . . . 0.0 112.475 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.05 -27.22 68.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.01 -56.38 10.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.24 -40.28 93.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.455 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.55 -45.21 91.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.49 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -63.49 -51.57 64.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.259 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.18 -42.17 80.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.962 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.2 m -62.14 -42.95 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.81 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -61.08 -46.15 91.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.7 mt -71.74 -21.61 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.87 -47.01 41.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -85.55 -57.57 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.461 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -75.12 -63.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.075 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.34 -179.19 16.49 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -77.1 -7.24 55.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -131.37 94.35 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.993 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.0 t -171.16 96.65 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.703 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 56.52 22.72 6.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 59.88 88.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.6 p -83.11 18.56 1.65 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -66.46 -11.31 51.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.163 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.91 -42.5 80.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.013 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -64.08 -44.77 91.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.115 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.04 -56.87 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.252 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -55.11 -40.21 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.6 -41.46 98.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.443 ' O ' ' HG2' ' A' ' 58' ' ' MET . 79.9 t80 -58.87 -58.71 7.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.476 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -52.16 -42.43 63.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.485 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 41.4 tt0 -64.76 -32.89 74.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.343 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.2 t -84.3 -16.74 41.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.363 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 96.1 mmm -84.74 -56.65 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.97 -9.8 42.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.663 0.268 . . . . 0.0 111.456 -179.1 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.17 -16.11 59.58 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -123.93 -25.99 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.2 25.95 15.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.315 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -103.17 127.25 50.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.66 0.267 . . . . 0.0 110.548 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 60.36 -165.8 0.2 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.614 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.74 ' H ' ' HG3' ' A' ' 20' ' ' PRO . 40.7 t . . . . . 0 CA--C 1.533 0.306 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.094 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.533 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 95.1 Cg_endo . . . . . 0 N--CA 1.459 -0.508 0 CA-C-O 121.076 0.365 . . . . 0.0 112.183 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 62.6 tttp -172.49 70.81 0.42 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.584 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.47 87.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.842 2.362 . . . . 0.0 113.067 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -168.91 170.95 8.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.786 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.7 m 63.46 5.36 2.06 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.172 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 m -143.67 -32.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.25 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.7 p -79.67 105.09 10.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.198 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 29.0 mtpp -126.51 -51.8 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.42 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.648 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 15.2 Cg_exo -69.14 -54.58 0.24 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.106 1.871 . . . . 0.0 111.862 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 4.5 tm-20 -56.52 -33.79 66.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.716 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -62.77 -43.19 99.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.622 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -68.71 -35.87 77.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.67 -57.55 7.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -58.09 -42.41 85.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.55 -50.66 72.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -56.3 -40.28 74.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 t -62.51 -43.06 99.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.556 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.66 -32.86 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -69.17 -44.37 72.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -76.09 -71.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.623 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -74.57 -64.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.436 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.95 168.82 11.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.369 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -95.51 2.56 54.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.89 -1.91 27.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -75.97 -71.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -130.75 18.28 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 13.0 mptt 62.87 5.6 1.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.898 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.8 m 53.22 26.48 5.14 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -63.3 -18.62 63.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.57 -44.05 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -68.17 -38.86 82.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.53 -59.35 4.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.16 -42.3 80.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 4.8 ttmp? -60.62 -35.24 75.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.622 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.437 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 36.0 t80 -65.51 -60.95 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.498 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 59' ' ' LYS . 28.1 mtpp -54.12 -30.98 50.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.746 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.463 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 2.2 tm-20 -77.82 -40.88 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.796 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.7 m -84.92 -9.54 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 mmt -104.98 -39.68 6.17 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.463 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -61.11 -10.61 6.54 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.89 19.42 11.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.449 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -146.95 -31.69 0.32 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.678 0.275 . . . . 0.0 111.047 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.08 109.08 0.27 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.372 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -135.44 -32.96 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.847 0.356 . . . . 0.0 111.198 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -167.18 -32.11 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.533 ' HA ' ' HG3' ' A' ' 20' ' ' PRO . 1.7 m . . . . . 0 CA--C 1.532 0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.281 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.446 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 51.5 Cg_endo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.792 0.247 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.659 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 23.2 pttm -164.91 49.41 0.21 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.609 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.659 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 35.5 Cg_endo -93.58 -77.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.857 2.371 . . . . 0.0 111.901 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.4 t 54.95 17.08 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.277 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.5 t -111.41 8.28 21.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.51 -29.59 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.128 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.3 127.85 36.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.75 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 50.6 mtpt -142.35 -54.02 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.643 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.75 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.1 Cg_endo -75.25 -52.08 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.079 1.853 . . . . 0.0 112.613 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.99 -35.88 81.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.37 -37.73 85.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.743 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.39 -53.72 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -58.24 -39.66 79.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -64.18 -56.53 14.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.987 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -55.09 -41.84 72.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.5 m -61.26 -45.56 94.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.17 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.1 t -65.27 -32.65 74.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.566 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 93.7 mt -71.86 -35.82 56.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.404 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.3 mt -81.93 -28.46 32.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.613 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -90.04 -64.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -124.45 38.47 4.19 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.566 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -139.58 -154.79 6.42 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.792 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 68.67 -3.93 1.28 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.43 0.292 . . . . 0.0 111.376 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -177.43 -35.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.826 0.345 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.4 m -58.12 -74.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.504 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 47' ' ' CYS . 42.3 mt-10 -113.14 -0.85 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.341 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 67.39 -9.74 0.39 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.87 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 45' ' ' GLU . 68.7 m 54.3 26.74 7.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.44 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 51' ' ' ILE . 55.6 mtpt -55.23 -26.15 37.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.32 -46.27 84.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -69.12 -34.51 75.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.069 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 48' ' ' LYS . 77.0 mt -63.54 -52.82 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.559 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 12.8 pt-20 -68.93 -41.06 78.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.244 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -59.52 -36.21 75.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.183 0.516 . . . . 0.0 110.088 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.29 -54.09 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.575 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 18.1 pttp -56.72 -31.27 64.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.078 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.584 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 48.5 mt-10 -81.08 -34.96 32.3 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.648 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.1 t -83.54 -9.93 58.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.73 0.3 . . . . 0.0 111.205 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.4 mmt -102.05 -44.27 5.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.584 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.2 -17.09 63.75 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.122 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -67.19 -52.37 32.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -163.56 10.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.965 0.412 . . . . 0.0 110.615 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.54 -91.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.426 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -178.13 136.9 0.17 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.861 0.362 . . . . 0.0 111.261 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.487 ' HG3' ' HB3' ' A' ' 22' ' ' PRO . 16.3 mm-40 60.25 -123.11 1.03 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.346 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 CA--C 1.533 0.309 0 O-C-N 123.014 0.196 . . . . 0.0 111.126 -179.45 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HB2' ' HB3' ' A' ' 64' ' ' GLU . 42.8 Cg_endo . . . . . 0 N--CA 1.463 -0.316 0 CA-C-O 120.611 0.171 . . . . 0.0 111.853 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm 60.79 70.72 0.92 Allowed Pre-proline 0 C--N 1.33 -0.267 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.44 96.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.912 2.408 . . . . 0.0 112.7 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.5 m -167.0 20.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.4 m -111.01 4.0 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.422 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -168.45 -27.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.517 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.24 125.72 24.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.985 0.421 . . . . 0.0 111.058 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.708 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 28.8 mtpp -141.85 -55.57 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.355 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.708 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 87.7 Cg_endo -75.74 -27.35 8.93 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.18 1.92 . . . . 0.0 112.186 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.58 -36.78 85.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -67.96 -36.98 81.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.114 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.03 -49.23 59.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.783 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.01 -52.32 64.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.023 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -56.51 -43.91 80.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.1 -43.66 87.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -58.61 -44.99 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.52 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -60.94 -38.31 85.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.712 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.422 HG23 ' HA ' ' A' ' 42' ' ' GLN . 77.2 mt -72.04 -26.14 24.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 tt -72.2 -48.7 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -77.17 -57.35 3.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.713 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -74.72 -64.05 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.431 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.07 -178.45 23.76 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' HA ' HG23 ' A' ' 37' ' ' ILE . 78.1 mt-30 -76.39 -5.46 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.666 0.27 . . . . 0.0 111.044 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -165.83 118.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.26 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.8 t -171.49 20.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.46 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 61.54 24.36 14.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.66 -36.33 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.233 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' O ' HG13 ' A' ' 51' ' ' ILE . 71.7 m -77.66 -22.37 50.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.17 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . 8.6 mtpm? -53.89 -33.35 56.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.85 -43.14 84.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.048 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -67.82 -34.75 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 47' ' ' CYS . 70.9 mt -64.61 -56.28 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -59.82 -37.99 80.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.685 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.75 -38.66 91.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.525 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.447 ' O ' ' HG2' ' A' ' 58' ' ' MET . 70.8 t80 -63.74 -57.14 10.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.592 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -55.61 -34.71 65.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.492 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.628 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.2 tt0 -77.49 -32.97 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.696 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.6 t -85.48 -12.84 50.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 87.5 mmm -104.32 -37.78 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.628 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -65.26 -7.17 11.91 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.315 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -54.4 -31.96 51.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.523 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.35 -19.87 3.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.776 0.322 . . . . 0.0 110.853 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.16 84.31 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.623 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -85.07 -34.6 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.096 0.475 . . . . 0.0 110.546 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 20' ' ' PRO . 14.2 mm-40 -153.12 -22.07 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.415 ' HA ' ' HG3' ' A' ' 20' ' ' PRO . 45.2 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.485 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.567 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 60.9 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.797 0.249 . . . . 0.0 112.124 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.602 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 57.5 tptt -165.94 -50.23 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.591 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 21' ' ' LYS . 5.4 Cg_exo -74.36 -22.59 16.18 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.292 1.994 . . . . 0.0 112.48 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.0 p 52.17 17.9 0.78 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.544 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.8 m 59.32 7.77 0.99 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.739 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.7 t 58.33 100.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.878 0.371 . . . . 0.0 111.153 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -120.79 160.85 22.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.11 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.584 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 39.3 ttpt -171.37 -52.24 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.251 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 58.6 Cg_endo -71.29 -54.79 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.052 1.835 . . . . 0.0 112.422 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -57.82 -45.24 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.33 -37.48 85.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.34 -40.15 95.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.26 -41.77 93.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.463 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -62.38 -45.49 92.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.04 -44.73 94.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.6 m -58.65 -46.19 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.803 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -56.67 -50.46 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.15 -22.46 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 38' ' ' LEU . 3.3 tt -72.76 -41.63 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.555 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -78.15 -63.53 1.37 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.241 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 44' ' ' SER . 2.5 p30 -90.41 -62.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.389 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.34 -171.87 18.08 Favored Glycine 0 N--CA 1.453 -0.172 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -89.14 -8.69 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.677 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -99.94 7.07 45.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.764 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.536 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . 87.6 p -68.72 -150.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.2 37.77 0.27 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 63.75 92.89 0.06 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.008 0.432 . . . . 0.0 111.247 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.27 26.49 1.63 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.678 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -63.3 -10.44 16.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.252 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.11 -41.75 75.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -70.24 -34.15 72.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.2 -53.9 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.32 -46.26 90.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.789 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -58.43 -42.12 86.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.329 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.468 ' O ' ' HG2' ' A' ' 58' ' ' MET . 79.8 t80 -56.35 -54.77 41.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.977 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -54.67 -45.5 73.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.613 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.74 -35.85 66.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.446 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t -78.25 -23.69 47.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 33.6 mmt -69.89 -58.44 3.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.497 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -79.61 -17.79 53.03 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.091 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.71 83.32 1.6 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 33.1 t80 59.92 17.21 6.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.949 0.404 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.44 -93.92 0.02 OUTLIER Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -164.71 -66.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.0 0.429 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -163.93 124.24 2.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.043 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.567 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.575 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.477 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 58.7 Cg_endo . . . . . 0 N--CA 1.465 -0.193 0 CA-C-O 120.581 0.159 . . . . 0.0 112.411 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.606 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 8.5 ptpp? -161.09 52.13 0.39 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.68 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.606 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 41.9 Cg_endo -94.28 -70.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.917 2.411 . . . . 0.0 111.964 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.512 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 5.9 t 54.13 23.64 4.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.179 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -112.91 -2.66 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.618 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 m -139.27 -0.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.57 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 32.1 p -116.75 114.92 24.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.693 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 62.3 mttp -147.0 -55.4 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.558 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.693 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.6 Cg_endo -75.79 -33.54 3.78 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.131 1.887 . . . . 0.0 112.759 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -53.56 -42.31 67.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.73 -35.61 80.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.01 -43.76 70.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.45 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -64.34 -54.26 35.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.6 -43.42 68.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.8 m -63.73 -38.16 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.688 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -60.47 -46.43 90.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 42' ' ' GLN . 2.0 mp -70.21 -29.73 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.63 -44.16 78.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.435 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -84.44 -52.65 6.0 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -74.22 -63.09 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.296 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.62 173.71 23.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.838 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HA ' HG23 ' A' ' 37' ' ' ILE . 47.1 mt-30 -58.45 -18.47 28.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.685 0.279 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -170.78 118.06 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.2 m -150.12 36.69 0.68 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.368 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 64.74 26.49 13.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.338 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -124.48 -28.87 3.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.4 m -58.86 -43.82 90.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.33 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -67.01 -25.4 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.201 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.98 -47.15 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.129 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -67.37 -36.7 81.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.394 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.89 -56.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.089 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.92 -37.46 79.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -60.71 -43.72 97.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.256 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' MET . 72.7 t80 -61.39 -61.22 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.739 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -50.45 -51.65 45.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 43.4 tt0 -58.44 -35.28 71.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.436 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.4 t -84.95 -10.37 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.514 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 88.6 mmm -101.82 -26.55 13.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 9.5 ptmt -87.41 -36.19 17.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.825 0.345 . . . . 0.0 110.943 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.16 88.97 1.59 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.802 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 59.25 20.88 9.0 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.897 0.379 . . . . 0.0 110.403 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -66.72 -97.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.733 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -166.47 -76.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.917 0.389 . . . . 0.0 111.455 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 9.7 tp10 -137.0 127.56 26.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.664 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.696 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.673 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 36.9 Cg_endo . . . . . 0 N--CA 1.461 -0.439 0 CA-C-O 120.605 0.169 . . . . 0.0 112.301 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.586 ' H ' ' HD2' ' A' ' 22' ' ' PRO . 4.5 tppp? 179.63 -47.5 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.89 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.673 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 86.0 Cg_endo -78.32 -113.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.309 2.006 . . . . 0.0 112.653 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.437 ' H ' ' HB2' ' A' ' 22' ' ' PRO . 36.7 t 54.15 25.45 5.69 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.3 t -112.89 -29.51 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.359 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.78 -31.44 44.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.178 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.5 p -60.75 146.65 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.587 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 64.0 tttp -167.38 -50.22 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.395 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 34.1 Cg_exo -60.0 -54.43 2.31 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.022 1.814 . . . . 0.0 112.137 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.82 -29.98 69.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -65.97 -43.11 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.363 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.63 -39.92 84.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.751 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.71 -54.65 39.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' O ' HG12 ' A' ' 37' ' ' ILE . 74.6 ttt180 -55.6 -48.99 73.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.727 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.59 -47.13 67.1 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.661 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.6 m -58.43 -40.93 83.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.276 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.5 t -67.94 -29.05 68.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.531 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 33' ' ' ARG . 33.5 mm -68.2 -44.94 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.1 mt -76.46 -28.31 56.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.66 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -86.33 -20.76 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -121.38 -64.7 1.2 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.665 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 37' ' ' ILE . . . -178.57 175.18 47.23 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.689 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HA ' HG23 ' A' ' 37' ' ' ILE . 6.3 tp-100 -55.87 -18.83 9.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.69 0.281 . . . . 0.0 111.095 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -165.35 -45.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.3 p 48.42 -159.49 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.263 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -121.5 -2.36 9.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 3.2 mptp? -104.26 1.96 31.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.7 t -114.2 -16.52 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.999 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HA ' HD12 ' A' ' 51' ' ' ILE . 7.8 mtpm? -61.87 -23.26 66.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.27 -46.99 84.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -66.76 -32.78 74.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 48' ' ' LYS . 57.6 mt -66.32 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 111.341 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.2 -40.76 82.44 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.994 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.31 -40.58 96.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.226 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -59.8 -60.78 3.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' O ' ' HD2' ' A' ' 59' ' ' LYS . 65.0 mttm -50.78 -57.69 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.559 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.26 -34.65 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.413 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -84.87 -14.8 46.73 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.479 ' HB2' ' HG3' ' A' ' 64' ' ' GLU . 97.1 mmm -104.93 -11.41 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 55' ' ' LYS . 10.5 ptmt -100.6 -14.66 18.08 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.298 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.5 -63.87 4.7 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.234 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -143.34 13.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.512 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.55 -125.1 5.47 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.776 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' PRO . 96.7 m-85 -143.27 134.59 26.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.654 0.264 . . . . 0.0 110.893 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.479 ' HG3' ' HB2' ' A' ' 58' ' ' MET . 0.1 OUTLIER -173.57 -174.74 1.02 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.055 0.455 . . . . 0.0 111.371 179.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.53 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 30.0 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.403 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.599 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 57.8 Cg_endo . . . . . 0 C--O 1.232 0.223 0 CA-C-O 120.656 0.19 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.583 ' HB2' ' HD3' ' A' ' 22' ' ' PRO . 49.2 mmtm -110.16 -49.99 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.844 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.599 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 88.6 Cg_exo -48.28 -81.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.325 2.017 . . . . 0.0 113.031 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.412 ' H ' ' HB2' ' A' ' 22' ' ' PRO . 21.0 t 52.68 21.1 1.75 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.859 0.361 . . . . 0.0 111.174 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.0 t -106.32 -32.17 8.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.227 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 t -84.21 53.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.44 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.8 p -168.87 112.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.784 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 99.6 mttt -136.25 -54.27 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.605 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.784 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 58.7 Cg_endo -71.87 -52.76 0.19 Allowed 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.903 1.735 . . . . 0.0 112.1 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.33 -34.95 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.642 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -65.39 -51.42 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.761 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -59.38 -49.55 77.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.265 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.09 -39.23 81.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -62.01 -56.61 17.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.88 -35.93 67.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -61.63 -50.3 73.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.1 t -57.83 -44.14 86.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.786 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.6 mt -69.93 -23.77 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.24 -52.49 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -80.87 -54.66 5.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.845 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -74.74 -64.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.647 0.26 . . . . 0.0 111.305 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.52 179.4 17.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.571 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -62.23 -20.04 63.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.718 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -145.32 -87.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 t 56.24 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -110.53 43.0 1.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 58.98 86.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.008 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.61 9.56 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -76.23 -6.96 53.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.736 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -43.9 82.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.53 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -65.04 -32.68 74.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.747 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.3 mt -64.51 -53.58 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.69 -45.26 92.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.95 -37.02 83.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' MET . 81.3 t80 -62.37 -61.91 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 93.6 mttt -56.98 -34.31 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.63 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.562 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 37.3 tt0 -62.77 -45.66 91.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.382 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.1 m -84.81 -9.34 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.574 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.478 ' HB3' ' HB3' ' A' ' 63' ' ' PHE . 26.3 mmt -101.71 -14.27 17.43 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 8.2 pttp -90.96 -17.21 26.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.05 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.83 -10.89 41.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.65 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -99.74 -33.11 10.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.8 70.33 0.35 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.607 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.478 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 67.2 t80 -142.59 113.77 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.23 130.5 37.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.511 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 15.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 98.1 Cg_endo . . . . . 0 N--CA 1.456 -0.718 0 CA-C-O 120.967 0.32 . . . . 0.0 112.262 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.528 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 20.9 pttp -175.53 57.06 0.17 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.392 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 31.4 Cg_exo -58.42 85.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.691 2.26 . . . . 0.0 112.637 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -171.62 86.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.2 t -174.07 -32.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.759 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.2 p -133.84 -19.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.3 p -60.74 126.36 27.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.795 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 67.9 mttm -135.74 -54.26 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.776 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.795 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 54.6 Cg_endo -69.27 -55.02 0.21 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.034 1.823 . . . . 0.0 112.825 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.81 -40.49 97.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.004 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.69 -34.71 78.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.07 -45.67 69.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.49 -44.51 96.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.721 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -63.3 -42.43 99.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.745 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.47 -39.67 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -63.6 -45.02 92.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.84 -49.42 77.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.657 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.527 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 81.7 mt -61.12 -34.17 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.087 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 tp -73.7 -29.03 62.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -75.73 -67.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.413 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -153.3 12.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.235 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -69.88 -158.37 2.07 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.74 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 72.16 -22.58 0.21 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 122.61 0.364 . . . . 0.0 111.152 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 41' ' ' GLY . 5.6 p-10 -176.29 78.28 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.7 t -170.97 -56.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 47' ' ' CYS . 42.6 mt-10 -116.85 12.5 14.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 35.4 mmtp 71.99 -25.82 0.18 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.831 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 45' ' ' GLU . 83.5 m 56.67 20.79 5.29 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.682 0.277 . . . . 0.0 111.382 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HG3' ' HB3' ' A' ' 46' ' ' LYS . 52.7 mtmt -85.52 -11.47 54.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.761 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.63 -47.01 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -69.51 -37.02 76.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.067 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.72 -51.33 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 46.4 mt-10 -68.63 -37.62 79.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 4.4 ttmp? -61.52 -33.87 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.273 0.559 . . . . 0.0 109.673 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -71.41 -53.38 14.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.853 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 17.7 pttp -58.13 -33.12 68.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.273 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.634 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 48.9 mt-10 -80.49 -34.43 35.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.2 t -84.6 -13.65 51.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.1 mmt -104.89 -41.21 5.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.634 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -57.51 -25.56 60.0 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.481 -178.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -61.83 -77.85 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.345 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -134.65 5.5 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.492 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.56 -100.86 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.924 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -169.77 176.38 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 111.095 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 55.99 -169.26 0.09 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.019 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.509 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 35.4 t . . . . . 0 CA--C 1.532 0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.298 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 CA-C-O 120.901 0.292 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.582 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 50.4 pttt -171.66 55.9 0.22 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.586 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 7.2 Cg_exo -72.66 103.94 1.64 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.473 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 26.3 m -153.88 12.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.394 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -120.02 9.02 11.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.721 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.6 p -143.3 -23.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.884 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 30.8 p -83.64 141.17 31.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.53 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 24.2 tptm -170.86 -53.29 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.15 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.53 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.9 Cg_endo -75.96 -53.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.17 1.913 . . . . 0.0 112.526 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.44 -30.19 71.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.197 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.42 -45.26 84.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.14 -42.87 79.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.07 -40.55 96.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -66.25 -43.29 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.98 -46.72 88.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -62.01 -40.82 96.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.0 t -59.92 -42.53 94.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.8 mt -76.89 -22.21 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.987 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -72.64 -44.37 61.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.708 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -87.99 -46.45 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -74.79 -64.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.713 0.292 . . . . 0.0 111.103 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.09 -167.0 24.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -80.86 -12.11 59.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.605 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.83 -76.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 t 62.1 -83.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -157.19 55.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.652 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 59.42 89.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p -103.95 18.09 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -66.92 -6.69 17.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.231 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -53.52 -47.75 69.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.25 -32.68 74.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.44 -50.52 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 12.5 pt-20 -68.1 -26.65 65.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 110.562 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.56 -45.19 76.34 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' A' ' 58' ' ' MET . 86.2 t80 -61.66 -56.06 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.121 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 12.4 ptmm? -53.48 -37.46 62.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.456 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.55 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 42.9 tt0 -66.14 -36.92 84.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.9 t -80.89 -13.8 58.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 93.9 mmm -81.19 -61.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.345 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -74.99 -6.99 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -68.68 -21.03 74.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.26 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -130.08 -42.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.603 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.02 104.49 2.87 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.435 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -139.16 -77.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 111.072 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -136.49 76.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.626 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 49.8 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.857 0.274 . . . . 0.0 112.052 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 4.9 tppp? -170.09 -50.64 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.35 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.626 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 87.9 Cg_endo -87.14 164.82 8.5 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.329 2.02 . . . . 0.0 112.687 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.8 t -170.61 9.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.9 m -101.48 10.69 40.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.2 -25.0 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 p -97.05 124.44 41.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.771 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 55.3 mtpt -148.77 -53.88 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.014 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.771 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 25.7 Cg_endo -61.09 -55.74 1.18 Allowed 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.002 1.801 . . . . 0.0 112.879 -179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.39 -34.07 76.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.961 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -66.03 -38.18 87.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.348 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.23 -42.66 79.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.698 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.49 -44.47 97.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -63.1 -50.65 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.04 -42.56 85.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.6 m -62.76 -39.37 93.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 t -64.63 -41.3 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.405 ' O ' ' HA2' ' A' ' 41' ' ' GLY . 69.0 mt -74.55 -23.92 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' O ' HD13 ' A' ' 38' ' ' LEU . 1.5 tm? -73.08 -47.21 46.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.449 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -80.39 -58.37 3.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.588 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -74.67 -63.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.3 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 37' ' ' ILE . . . 113.98 153.13 10.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.569 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.17 3.25 15.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -103.36 0.73 31.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.008 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -97.44 -71.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.051 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 47' ' ' CYS . 9.2 mm-40 -114.15 7.85 16.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.694 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER 67.1 -8.14 0.46 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.577 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 45' ' ' GLU . 34.0 t 53.42 20.61 2.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.75 0.31 . . . . 0.0 111.071 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HA ' HD12 ' A' ' 51' ' ' ILE . 21.8 ptmt -62.52 -30.87 71.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.259 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -58.5 -46.78 85.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -65.46 -32.65 74.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 48' ' ' LYS . 68.7 mt -63.42 -55.69 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.371 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.93 -41.12 97.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.357 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -59.04 -57.37 13.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.933 0.397 . . . . 0.0 109.981 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -55.83 -37.12 68.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.074 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -61.32 -56.68 17.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.259 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.3 -21.98 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.337 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -84.33 -25.03 29.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.195 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.1 mmt -100.89 -66.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.538 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -58.35 -43.66 88.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.704 0.288 . . . . 0.0 111.027 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.55 86.58 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.207 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 55.43 71.66 0.53 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 0.0 110.719 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.57 -102.25 1.08 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.682 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -172.16 -31.82 0.01 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 0.0 111.361 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HB3' ' HG2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -119.78 173.64 6.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.763 -179.18 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 CA--C 1.533 0.326 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.649 179.786 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 94.8 Cg_endo . . . . . 0 N--CA 1.462 -0.349 0 CA-C-O 121.152 0.397 . . . . 0.0 111.841 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 21.1 ptmt -165.97 47.33 0.15 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.536 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 6.0 Cg_exo -35.58 117.03 0.13 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.773 2.982 . . . . 0.0 112.953 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.618 ' SG ' HG12 ' A' ' 25' ' ' VAL . 1.5 p -96.58 -160.92 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.404 ' H ' ' HB2' ' A' ' 23' ' ' CYS . 80.6 m -74.43 -21.87 59.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.969 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.618 HG12 ' SG ' ' A' ' 23' ' ' CYS . 4.8 p -70.93 -6.76 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.915 0.388 . . . . 0.0 111.274 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.6 m -74.45 -0.9 18.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.19 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 75.7 mmtt 62.66 161.91 0.12 Allowed Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.377 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 30.9 Cg_endo -63.45 -18.13 63.16 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.636 2.224 . . . . 0.0 112.402 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -46.27 -39.95 10.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.35 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 22' ' ' PRO . 37.7 ttpt -62.54 -48.26 80.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.7 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.1 -40.36 85.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.11 -35.45 79.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.729 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -63.33 -52.52 61.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.461 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.8 -42.42 93.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.564 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -61.31 -38.16 85.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.713 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.77 -47.52 80.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.572 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.3 mt -71.9 -20.67 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.227 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 tt -76.69 -48.1 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -86.36 -58.06 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.45 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.78 -63.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.787 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.35 168.69 13.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.672 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -77.57 -13.77 59.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.006 0.431 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -82.71 -23.2 34.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.993 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.6 m -58.03 101.28 0.07 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.431 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 17.4 mm-40 61.16 -94.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.646 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 6.2 mmtm -155.6 -33.35 0.09 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.656 0.265 . . . . 0.0 111.195 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.5 m 56.49 21.7 5.87 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.776 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -72.9 -26.04 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.132 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.7 -39.48 80.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -69.43 -33.98 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.17 -52.84 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.25 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.19 -43.03 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -62.45 -51.41 67.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.457 ' O ' ' HG2' ' A' ' 58' ' ' MET . 91.7 t80 -54.04 -61.26 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -51.64 -44.11 62.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.82 -34.14 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.717 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.9 m -83.71 -17.65 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 34.2 mmt -84.67 -71.89 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -6.53 40.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.333 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.98 -19.66 65.95 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.15 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -128.13 -51.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.503 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.77 105.77 3.0 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.828 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -170.4 -15.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.729 0.299 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.613 ' HG3' ' H ' ' A' ' 65' ' ' VAL . 3.6 tp10 -152.67 -167.4 2.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.613 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 69.9 t . . . . . 0 N--CA 1.464 0.264 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.162 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.489 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 71.2 Cg_endo . . . . . 0 N--CA 1.464 -0.262 0 CA-C-O 120.683 0.201 . . . . 0.0 112.231 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.642 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 58.7 pttt -173.49 49.4 0.09 OUTLIER Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.378 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.642 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 41.3 Cg_endo -91.67 -75.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.606 2.204 . . . . 0.0 112.466 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.2 t 57.54 17.66 4.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p -111.1 -4.33 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -115.25 6.49 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.39 140.17 46.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 87.4 tttt -168.84 -51.95 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.26 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 59.1 Cg_endo -72.45 -53.35 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.121 1.881 . . . . 0.0 112.392 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.46 -33.13 70.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.727 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -68.29 -41.21 81.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.786 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.71 -43.44 93.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.7 -44.58 93.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.91 -55.68 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.449 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.69 -51.41 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.42 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.4 m -53.81 -44.85 70.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -58.97 -49.77 76.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -70.61 -16.88 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.147 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -49.0 18.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.73 -21.22 28.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.789 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -105.05 -64.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.685 0.278 . . . . 0.0 111.303 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.01 174.89 14.4 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -73.49 -13.35 61.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.686 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.72 103.46 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -168.61 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.604 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.15 16.91 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.577 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 12.1 mptt 60.92 90.01 0.07 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 p -81.66 12.71 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.005 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 4.6 ttmp? -58.56 -24.03 59.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.12 -43.64 95.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.06 -33.3 75.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.07 -58.64 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.79 -34.32 69.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.783 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -66.59 -49.07 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.541 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -56.63 -59.69 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.632 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -49.89 -56.95 8.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.528 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 11.2 tp10 -59.28 -30.33 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.572 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.02 -13.74 49.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.301 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.597 ' HB3' ' HB3' ' A' ' 64' ' ' GLU . 24.9 mmt -104.92 -18.54 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 56' ' ' GLU . 13.2 pttt -102.81 -36.88 8.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.67 0.271 . . . . 0.0 110.974 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.36 87.76 0.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.806 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 62.03 17.15 8.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.809 0.337 . . . . 0.0 110.698 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.97 -128.92 0.16 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.541 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -175.51 -23.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 111.002 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 0.7 OUTLIER -57.48 -82.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.632 -179.815 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 CA--C 1.53 0.206 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.245 179.81 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo . . . . . 0 N--CA 1.457 -0.673 0 CA-C-O 120.794 0.247 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 10.3 mtmp? 57.59 85.93 0.18 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG3' ' HE2' ' A' ' 30' ' ' LYS . 9.6 Cg_endo -51.45 155.83 6.71 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.869 2.379 . . . . 0.0 112.632 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 25' ' ' VAL . 2.3 p -115.89 -69.63 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.049 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.1 p -172.7 -31.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 ' SG ' ' A' ' 23' ' ' CYS . 23.3 m -59.63 -18.85 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.324 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 m -62.57 117.45 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.595 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' H ' ' HE1' ' A' ' 58' ' ' MET . 35.4 mmtp -56.67 156.66 11.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.667 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.39 -18.52 14.88 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.924 2.416 . . . . 0.0 112.558 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -46.02 -41.53 12.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HE2' ' HG3' ' A' ' 22' ' ' PRO . 63.5 tttp -60.15 -43.16 95.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.45 -46.48 89.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.812 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.63 -40.38 87.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -61.62 -46.6 89.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.436 . . . . 0.0 110.415 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 15.6 t70 -55.45 -56.79 16.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.743 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.432 HG22 ' HE2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -51.99 -45.58 64.56 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.692 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 53.7 t -52.87 -43.56 66.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.048 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.49 -25.24 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.835 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 34' ' ' ASP . 73.4 mt -64.64 -53.6 45.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.628 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' HE2' HG22 ' A' ' 35' ' ' THR . 15.0 p90 -91.59 -41.44 10.77 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 36' ' ' CYS . 95.4 m-20 -84.39 -64.32 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.61 -169.09 18.59 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.727 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -99.79 -0.33 40.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.617 0.246 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.5 13.12 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.322 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -56.77 -51.95 66.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.192 0.52 . . . . 0.0 110.186 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 23.5 mm-40 -142.87 -77.46 0.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.05 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 17.0 mmtp -166.67 86.87 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.9 p -99.71 8.61 44.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.64 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -67.44 -23.82 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.801 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -58.93 -45.21 90.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.073 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -61.48 -33.74 74.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.7 -50.4 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -59.82 -40.6 88.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.979 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.61 -39.72 88.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.777 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' O ' ' HG2' ' A' ' 58' ' ' MET . 75.4 t80 -59.24 -61.41 2.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.325 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -51.34 -50.81 58.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.325 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 39.7 tt0 -57.3 -39.57 76.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.777 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.29 -10.41 56.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.826 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.574 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . 25.9 mmt -104.98 -12.68 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 10.8 ptmt -95.17 -28.32 15.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.764 0.316 . . . . 0.0 111.2 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.1 -77.65 0.84 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.163 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -107.76 14.74 25.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 0.0 110.458 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.574 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -81.81 -131.19 1.32 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.72 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 t80 176.57 -31.35 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.745 0.307 . . . . 0.0 110.965 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -105.84 103.77 13.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.491 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.533 0.3 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.83 179.588 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.515 ' HD2' ' HD3' ' A' ' 22' ' ' PRO . 53.5 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 CA-C-O 121.099 0.374 . . . . 0.0 111.748 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.567 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 54.6 pttt -169.03 54.78 0.25 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.909 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.567 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 68.5 Cg_endo -93.24 135.48 1.17 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.167 2.578 . . . . 0.0 113.169 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 7.5 t -174.11 16.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.9 m -103.11 -12.44 17.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.795 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 2.2 t -129.47 12.89 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 17.5 p -138.3 153.79 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 23.9 tptm -173.27 -55.05 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.589 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 83.8 Cg_endo -75.9 -35.27 2.62 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.066 1.844 . . . . 0.0 112.703 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.81 -52.03 61.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.306 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -53.73 -39.36 65.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.135 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.78 -38.48 86.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.3 -58.01 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.99 -43.13 86.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -53.91 -55.42 27.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.5 m -54.67 -46.5 74.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 t -56.02 -38.45 70.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.9 mt -74.77 -27.35 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.025 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.92 -38.29 69.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.391 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -89.0 -30.16 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.746 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -98.61 -64.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.663 0.268 . . . . 0.0 111.28 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.65 174.48 13.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.658 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -77.54 -5.05 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 0.0 111.195 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -157.06 95.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.4 t -170.82 117.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.39 20.68 4.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER 59.48 88.82 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.888 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 81.3 m -85.26 12.45 8.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -72.68 -6.82 47.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.55 -45.32 92.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.27 -38.25 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' TYR . 71.6 mt -62.66 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.992 0.425 . . . . 0.0 110.812 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.04 -51.74 66.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.565 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -54.12 -36.97 63.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.228 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.468 ' O ' ' HG2' ' A' ' 58' ' ' MET . 16.2 t80 -60.07 -61.2 2.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.818 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -54.15 -57.06 12.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.708 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.75 -35.35 63.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.2 p -84.81 -14.53 47.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.713 0.292 . . . . 0.0 111.13 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 25.5 mmt -98.42 -73.83 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.754 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -67.57 -6.57 20.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.631 0.253 . . . . 0.0 111.625 -179.63 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.18 -14.1 31.15 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.626 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -137.18 -34.95 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 110.677 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 59' ' ' LYS . . . -167.68 -105.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.234 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.426 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 28.4 t80 57.0 174.55 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.807 0.336 . . . . 0.0 111.205 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 22' ' ' PRO . 8.5 mm-40 -107.37 108.7 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.261 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.539 179.615 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.54 ' HB2' ' HD2' ' A' ' 21' ' ' LYS . 52.1 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 CA-C-O 120.979 0.325 . . . . 0.0 111.694 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 20' ' ' PRO . 10.0 mptt -136.55 68.85 60.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.707 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.36 166.06 15.99 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.857 2.371 . . . . 0.0 113.03 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 4.6 t 65.06 -172.97 0.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.024 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t 66.62 0.89 1.97 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 t -141.24 -27.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 28.0 p -96.86 138.54 34.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.063 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 23.8 tptm -172.62 -51.31 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.199 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.575 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.1 Cg_endo -75.31 -43.58 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.055 1.837 . . . . 0.0 112.546 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -64.76 -50.08 68.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -59.75 -36.58 76.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.24 -54.53 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.84 -29.07 69.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.154 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -68.57 -58.24 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -58.29 -36.48 73.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.7 m -64.36 -48.64 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.7 t -58.04 -46.8 84.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.546 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 67.2 mt -62.8 -50.33 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.916 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.45 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.978 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -81.75 -72.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 44' ' ' SER . 42.7 m-80 -141.82 38.88 1.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -112.03 -139.38 7.7 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.644 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 41' ' ' GLY . 35.7 tt0 71.52 -21.91 0.2 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.46 0.304 . . . . 0.0 111.707 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' A' ' 41' ' ' GLY . 4.5 p-10 -173.74 30.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.647 0.26 . . . . 0.0 111.221 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' A' ' 40' ' ' ASN . 69.5 m -129.97 128.48 42.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 110.993 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 60.89 10.11 2.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.318 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm 60.38 91.14 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.077 0.465 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.42 -7.53 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.408 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -60.63 -14.68 21.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.9 -46.96 87.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -62.16 -34.88 77.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.815 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.04 -48.8 84.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.678 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -58.55 -45.32 89.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.595 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -60.01 -40.68 90.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.378 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.423 ' O ' ' HG2' ' A' ' 58' ' ' MET . 80.0 t80 -56.86 -57.11 13.91 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.306 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -52.1 -55.49 20.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.544 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.94 -24.37 57.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.91 -24.19 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.181 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.5 ' HE2' ' HB2' ' A' ' 64' ' ' GLU . 71.2 mmm -87.33 -57.97 2.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -61.95 -19.24 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.28 -26.96 69.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.311 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -114.62 -59.07 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 110.629 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.26 91.79 1.78 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.73 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -155.08 -54.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.019 0.437 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.5 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 48.1 mt-10 -106.71 167.62 9.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.651 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 CA--C 1.531 0.248 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.134 -179.875 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.457 -0.663 0 CA-C-O 120.852 0.272 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -168.77 82.0 0.72 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.978 179.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -44.44 122.24 3.73 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.897 2.398 . . . . 0.0 112.995 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.603 ' SG ' HG22 ' A' ' 25' ' ' VAL . 1.8 p -98.63 -159.65 0.75 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.034 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' H ' ' HB2' ' A' ' 23' ' ' CYS . 28.3 p -86.38 -14.64 42.85 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.603 HG22 ' SG ' ' A' ' 23' ' ' CYS . 3.2 m -66.76 -24.14 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 111.023 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.9 p -136.32 131.13 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 39.6 ttpt -167.02 -50.25 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.397 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 35.3 Cg_exo -60.41 -31.64 92.89 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.024 1.816 . . . . 0.0 112.126 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.34 -51.17 70.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -57.95 -38.82 76.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.179 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.33 -44.18 95.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.66 -43.2 99.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.103 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -60.36 -54.86 40.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.89 -44.9 82.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.293 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.6 m -57.85 -45.58 86.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.177 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.06 -44.19 97.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.505 HG23 ' HA ' ' A' ' 42' ' ' GLN . 69.6 mt -71.03 -21.19 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -50.7 14.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.29 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -80.04 -51.77 8.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.666 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.56 -63.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.14 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.03 -178.37 22.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.505 ' HA ' HG23 ' A' ' 37' ' ' ILE . 5.3 pm0 -62.49 -17.13 58.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.797 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -152.85 -80.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.766 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 m 49.0 -90.79 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.473 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -95.22 30.55 2.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.994 0.426 . . . . 0.0 110.53 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 3.3 mptp? 60.77 87.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.147 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.3 m -92.45 10.5 29.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.597 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.27 -23.78 62.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.811 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -52.64 -41.48 63.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -66.04 -32.44 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.249 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.09 -52.73 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.259 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -43.27 99.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.084 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.99 -49.58 76.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -55.82 -61.25 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.041 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -51.06 -53.99 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.625 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HA ' ' HZ2' ' A' ' 59' ' ' LYS . 44.4 mt-10 -59.06 -31.12 68.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.66 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.8 m -84.56 -15.26 46.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.738 0.304 . . . . 0.0 111.093 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.5 mmt -92.43 -70.07 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.369 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.42 ' HZ2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -73.87 -21.27 60.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.393 -179.457 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.74 -56.45 19.02 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.686 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -151.18 -0.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.781 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.51 -106.5 0.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 113.121 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -169.75 179.37 3.73 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 62.4 -172.59 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.699 0.285 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 CA--C 1.533 0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.178 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo . . . . . 0 N--CA 1.461 -0.433 0 CA-C-O 120.75 0.229 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 62.4 90.28 0.09 OUTLIER Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.017 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.89 108.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.795 2.33 . . . . 0.0 112.734 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.449 ' SG ' HG22 ' A' ' 25' ' ' VAL . 2.2 p -61.11 -87.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.74 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.6 m -145.41 -37.79 0.27 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.634 0.254 . . . . 0.0 111.239 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.449 HG22 ' SG ' ' A' ' 23' ' ' CYS . 28.3 m -54.37 -31.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.399 . . . . 0.0 111.134 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -112.8 119.39 37.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.659 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.664 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 88.1 tttt -161.13 -53.06 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.8 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.664 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 16.5 Cg_endo -58.26 -42.41 56.63 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.876 1.717 . . . . 0.0 112.263 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.21 -47.36 83.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -58.95 -44.99 91.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -55.97 -46.43 78.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.654 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.84 -40.5 93.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.17 -50.68 72.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -59.67 -33.96 72.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.0 m -64.68 -50.63 66.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.668 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -54.68 -50.03 69.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.228 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.33 -41.12 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.609 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.65 -34.6 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.326 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.57 -75.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.982 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -153.17 12.11 0.48 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.068 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 43' ' ' ASP . . . -63.51 -12.42 46.1 Favored Glycine 0 CA--C 1.511 -0.181 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.994 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.91 4.44 0.64 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.516 0.198 . . . . 0.0 111.245 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 41' ' ' GLY . 27.8 t70 -167.09 -36.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.585 0.231 . . . . 0.0 111.436 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -49.12 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.43 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -104.15 8.0 36.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.145 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 13.1 mptt 59.75 11.73 2.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.189 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.1 p 50.29 20.53 0.66 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.674 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 62.2 mttp -92.97 -26.64 17.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.43 -46.67 82.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.84 -36.83 84.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.282 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.21 -46.52 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.33 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.67 -48.41 72.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.39 -36.27 71.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.154 0.502 . . . . 0.0 109.984 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -64.35 -59.82 3.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.314 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -55.43 -28.51 54.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.659 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.682 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.4 tt0 -73.06 -43.42 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.681 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -84.49 -9.67 58.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.829 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.533 ' HB3' ' HB3' ' A' ' 63' ' ' PHE . 25.4 mmt -100.58 -30.74 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.682 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 9.1 ptmt -61.63 -21.98 64.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.76 0.314 . . . . 0.0 111.04 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.64 60.77 4.78 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.685 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 56.32 17.83 3.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.68 0.276 . . . . 0.0 111.187 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.68 -25.93 28.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.533 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 47.5 t80 -171.62 133.98 0.81 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.786 0.326 . . . . 0.0 110.8 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.52 141.87 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.2 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.572 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.484 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 94.1 Cg_endo . . . . . 0 N--CA 1.458 -0.564 0 CA-C-O 121.092 0.372 . . . . 0.0 112.133 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 54.3 tptt -176.31 79.72 0.28 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.999 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -40.02 92.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.173 2.582 . . . . 0.0 113.417 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.409 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 5.1 m -162.73 177.69 9.13 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.245 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.7 m 62.63 17.35 9.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.697 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 p -168.0 -35.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.726 0.298 . . . . 0.0 111.35 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 28.1 p -76.34 124.42 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 5.1 tmtp? -164.38 -55.04 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.829 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.565 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.0 Cg_endo -76.25 -41.7 0.46 Allowed 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.018 1.812 . . . . 0.0 112.021 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.9 -50.04 73.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.187 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 60.7 pttt -56.28 -34.53 66.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.966 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.7 -49.67 57.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.04 -46.56 89.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -60.94 -39.43 89.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.544 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.65 -45.85 90.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.1 m -59.99 -42.78 94.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.528 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.94 -34.55 77.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.259 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 41' ' ' GLY . 96.9 mt -73.78 -28.14 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.347 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -46.69 62.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.981 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -73.24 -51.16 18.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.848 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -74.32 -64.44 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.518 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 37' ' ' ILE . . . 159.12 172.83 26.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.574 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -71.11 -11.78 61.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.661 0.267 . . . . 0.0 111.162 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -167.92 119.04 0.83 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.018 0.437 . . . . 0.0 111.327 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -169.4 11.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.477 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 57.06 27.05 12.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -93.13 -34.13 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.184 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 p -95.07 12.92 26.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.99 -33.13 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -58.63 -40.75 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.032 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -65.11 -33.31 75.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.67 -52.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.64 -45.8 92.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.52 -37.2 77.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.614 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.484 ' O ' ' HG2' ' A' ' 58' ' ' MET . 80.4 t80 -60.98 -58.15 9.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.365 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 67.1 mttm -49.68 -56.06 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.462 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.511 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 12.7 pt-20 -60.57 -29.81 69.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.4 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.0 t -78.96 -17.66 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.743 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 32.7 mmt -88.03 -66.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.356 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.33 -15.3 15.42 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.828 0.346 . . . . 0.0 111.164 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.46 53.98 4.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.157 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.2 t80 59.02 85.86 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.911 0.386 . . . . 0.0 110.732 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.89 -36.76 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -156.4 155.05 31.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.364 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 20' ' ' PRO . 11.7 pt-20 -68.01 132.44 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.233 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t . . . . . 0 CA--C 1.533 0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.783 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.2 p -82.82 173.43 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.119 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -150.09 146.29 26.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.771 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.6 p -68.93 -64.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -149.32 145.01 26.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -153.09 -51.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.53 119.54 8.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -86.65 134.28 33.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -78.18 -64.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.752 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 59.7 100.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.8 175.12 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -91.55 170.41 9.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -65.97 -68.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.38 -64.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.024 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -168.31 137.91 2.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.4 t 60.37 100.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.192 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -59.47 -37.47 78.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.3 t70 60.48 175.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.046 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 62.12 100.39 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.167 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.6 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 67.3 Cg_endo -75.14 -80.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.352 2.035 . . . . 0.0 112.166 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 17.3 ptmt -144.87 55.5 3.14 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.553 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -23.91 91.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 124.981 3.788 . . . . 0.0 113.508 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.567 ' SG ' HG12 ' A' ' 25' ' ' VAL . 24.6 p -67.71 -159.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.167 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.72 -19.99 47.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.973 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.567 HG12 ' SG ' ' A' ' 23' ' ' CYS . 1.2 p -65.49 -18.92 24.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 110.974 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.6 p -126.26 114.89 18.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.729 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 56.1 tptt -161.02 -50.94 0.01 OUTLIER Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.84 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.729 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 19.9 Cg_endo -60.74 -55.51 1.37 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.045 1.83 . . . . 0.0 113.063 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -31.59 65.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.825 0.345 . . . . 0.0 110.776 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -64.35 -44.14 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.275 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.43 -34.77 78.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.359 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.07 -37.09 83.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -68.98 -45.69 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.789 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.39 -44.24 97.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.734 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.9 m -63.89 -40.65 97.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.6 t -61.29 -43.88 98.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.38 -24.38 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -52.4 20.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.297 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -74.64 -42.59 58.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.636 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -74.77 -64.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 111.299 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 43' ' ' ASP . . . 117.82 20.06 4.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.419 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 65.26 -7.9 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.725 0.298 . . . . 0.0 110.989 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 41' ' ' GLY . 6.6 p-10 -83.14 6.95 17.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 t -109.62 100.32 9.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 58.53 17.66 5.12 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 61.89 7.28 1.97 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.7 t 54.22 24.39 4.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 51' ' ' ILE . 39.6 ttpt -70.54 -18.74 62.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.71 -47.48 85.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -68.07 -32.82 73.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 48' ' ' LYS . 80.6 mt -64.85 -44.4 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -69.07 -48.28 63.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -57.48 -37.36 72.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.077 0.465 . . . . 0.0 110.445 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -67.6 -56.62 8.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.394 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -57.78 -27.65 63.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.622 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.625 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.6 tt0 -78.9 -34.81 44.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.425 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.5 t -84.49 -14.37 49.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.709 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.457 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . 23.3 mmt -101.04 -39.25 7.81 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.625 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -67.18 -20.09 65.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.503 -179.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.465 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -105.77 97.7 1.32 Allowed Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.592 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 55.64 17.73 2.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -82.89 -94.48 0.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.43 ' HB2' HG11 ' A' ' 25' ' ' VAL . 16.8 t80 -141.64 -90.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.605 0.24 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.437 ' HG3' ' HG3' ' A' ' 20' ' ' PRO . 10.5 pt-20 -171.52 139.66 1.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.012 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 58.8 t -140.37 126.83 11.96 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.678 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 19.9 Cg_exo -65.54 -59.26 0.15 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.442 2.095 . . . . 0.0 112.272 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.6 m 60.3 -178.12 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.265 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -116.32 -13.15 11.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.093 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.4 mtt . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.735 0.302 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.6 p -128.01 145.41 50.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.56 -73.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 p -142.22 -65.26 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -108.08 115.47 30.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -110.68 -26.46 9.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.124 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -159.37 127.46 4.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.718 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.408 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 35.6 tt0 61.72 105.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.165 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.69 133.2 49.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.984 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -104.06 121.56 43.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -70.22 115.0 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -148.22 143.01 26.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -142.25 -35.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.03 -70.48 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -138.5 -176.98 4.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.3 t 58.02 97.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -120.71 145.64 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.677 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 57.02 -160.3 0.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.654 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 61.53 102.83 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.74 ' HG3' ' H ' ' A' ' 65' ' ' VAL . 23.6 Cg_endo -93.72 20.74 0.66 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 123.097 2.532 . . . . 0.0 111.997 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt 61.48 63.93 2.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.675 -178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.567 ' HD3' ' HD2' ' A' ' 20' ' ' PRO . 32.1 Cg_endo -62.91 115.34 2.88 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.938 2.425 . . . . 0.0 112.417 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.5 m -161.79 17.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.197 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.2 t -108.82 2.52 21.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -159.48 -32.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.602 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.7 p -63.49 140.38 58.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.581 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 38.1 ttpt -165.86 -53.38 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.436 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.581 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 70.4 Cg_endo -75.13 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.058 1.839 . . . . 0.0 112.475 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.05 -27.22 68.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.01 -56.38 10.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.24 -40.28 93.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.455 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.55 -45.21 91.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.49 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -63.49 -51.57 64.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.259 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.18 -42.17 80.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.962 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.2 m -62.14 -42.95 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.81 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.1 t -61.08 -46.15 91.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.024 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.7 mt -71.74 -21.61 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.87 -47.01 41.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -85.55 -57.57 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.461 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -75.12 -63.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.075 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.34 -179.19 16.49 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -77.1 -7.24 55.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -131.37 94.35 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.993 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.0 t -171.16 96.65 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.703 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 56.52 22.72 6.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 59.88 88.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.6 p -83.11 18.56 1.65 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -66.46 -11.31 51.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.163 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.91 -42.5 80.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.013 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -64.08 -44.77 91.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.115 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.04 -56.87 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.252 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -55.11 -40.21 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.6 -41.46 98.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.443 ' O ' ' HG2' ' A' ' 58' ' ' MET . 79.9 t80 -58.87 -58.71 7.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.476 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -52.16 -42.43 63.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.485 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 41.4 tt0 -64.76 -32.89 74.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.343 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.2 t -84.3 -16.74 41.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.363 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 96.1 mmm -84.74 -56.65 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -66.97 -9.8 42.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.663 0.268 . . . . 0.0 111.456 -179.1 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.17 -16.11 59.58 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -123.93 -25.99 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.2 25.95 15.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.315 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -103.17 127.25 50.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.66 0.267 . . . . 0.0 110.548 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 60.36 -165.8 0.2 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.614 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.74 ' H ' ' HG3' ' A' ' 20' ' ' PRO . 40.7 t 64.39 106.23 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.094 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 6.2 Cg_exo -74.6 -23.37 14.78 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.846 2.364 . . . . 0.0 112.331 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.5 p -89.97 144.67 25.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.952 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.98 178.95 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.871 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 t -100.72 138.18 38.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -138.82 -70.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 p 42.87 -96.33 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.061 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -129.07 164.82 22.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.544 0.212 . . . . 0.0 110.745 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 64.39 118.08 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -153.81 128.35 9.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -90.07 -4.53 57.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.77 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -95.29 126.08 40.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -142.09 116.62 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -79.98 -172.3 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.736 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 61.66 -82.55 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -70.25 99.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.728 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.29 -56.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 62.1 171.27 0.13 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.241 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.5 p -169.16 168.06 10.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.77 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.73 3.74 39.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.87 174.39 5.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.0 tttm 57.3 96.46 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.533 ' HG3' ' HA ' ' A' ' 65' ' ' VAL . 95.1 Cg_endo -86.73 -66.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.587 2.191 . . . . 0.0 112.183 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 62.6 tttp -172.49 70.81 0.42 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.584 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.47 87.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.842 2.362 . . . . 0.0 113.067 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -168.91 170.95 8.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.786 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.7 m 63.46 5.36 2.06 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.172 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 m -143.67 -32.48 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.25 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.7 p -79.67 105.09 10.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.198 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 29.0 mtpp -126.51 -51.8 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.42 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.648 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 15.2 Cg_exo -69.14 -54.58 0.24 Allowed 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.106 1.871 . . . . 0.0 111.862 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 4.5 tm-20 -56.52 -33.79 66.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.716 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -62.77 -43.19 99.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.622 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -68.71 -35.87 77.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.67 -57.55 7.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -58.09 -42.41 85.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.55 -50.66 72.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.4 m -56.3 -40.28 74.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 t -62.51 -43.06 99.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.556 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.66 -32.86 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -69.17 -44.37 72.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -76.09 -71.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.623 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -74.57 -64.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.436 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.95 168.82 11.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.369 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -95.51 2.56 54.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -103.89 -1.91 27.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -75.97 -71.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -130.75 18.28 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 13.0 mptt 62.87 5.6 1.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.898 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.8 m 53.22 26.48 5.14 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -63.3 -18.62 63.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.57 -44.05 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -68.17 -38.86 82.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.53 -59.35 4.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.16 -42.3 80.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 4.8 ttmp? -60.62 -35.24 75.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.622 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.437 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 36.0 t80 -65.51 -60.95 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.498 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 59' ' ' LYS . 28.1 mtpp -54.12 -30.98 50.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.746 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.463 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 2.2 tm-20 -77.82 -40.88 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.796 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.7 m -84.92 -9.54 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 mmt -104.98 -39.68 6.17 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -61.11 -10.61 6.54 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.89 19.42 11.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.449 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -146.95 -31.69 0.32 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.678 0.275 . . . . 0.0 111.047 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.08 109.08 0.27 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.372 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -135.44 -32.96 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.847 0.356 . . . . 0.0 111.198 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -167.18 -32.11 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.533 ' HA ' ' HG3' ' A' ' 20' ' ' PRO . 1.7 m -47.72 130.96 11.2 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.281 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 19.5 Cg_exo -65.68 -39.78 19.69 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.626 2.218 . . . . 0.0 112.401 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 m -66.84 106.14 1.79 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.966 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -107.6 129.81 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.059 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.906 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.3 p -127.37 149.12 50.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.26 150.42 25.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.6 p -97.82 -65.54 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -133.28 147.99 51.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.82 -17.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -142.65 120.49 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.095 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 61.73 111.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.384 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -68.19 -179.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.711 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -121.13 150.71 40.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.13 108.81 3.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -87.64 99.13 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.819 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -164.35 -76.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.772 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.71 -70.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.99 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -85.78 179.67 7.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.738 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.8 t -144.8 13.63 1.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 55.42 -167.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.7 167.07 9.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.736 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 86.4 tttt 60.06 101.62 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.547 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 51.5 Cg_endo -69.63 -73.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.389 2.06 . . . . 0.0 112.024 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.659 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 23.2 pttm -164.91 49.41 0.21 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.609 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.659 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 35.5 Cg_endo -93.58 -77.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.857 2.371 . . . . 0.0 111.901 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.4 t 54.95 17.08 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.277 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.5 t -111.41 8.28 21.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.51 -29.59 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.128 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.3 127.85 36.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.75 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 50.6 mtpt -142.35 -54.02 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.643 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.75 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.1 Cg_endo -75.25 -52.08 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.079 1.853 . . . . 0.0 112.613 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.99 -35.88 81.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.37 -37.73 85.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.743 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.39 -53.72 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -58.24 -39.66 79.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.048 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -64.18 -56.53 14.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.987 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -55.09 -41.84 72.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.5 m -61.26 -45.56 94.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.17 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.1 t -65.27 -32.65 74.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.566 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 93.7 mt -71.86 -35.82 56.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.404 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.3 mt -81.93 -28.46 32.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.613 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -90.04 -64.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -124.45 38.47 4.19 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.566 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -139.58 -154.79 6.42 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.792 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 68.67 -3.93 1.28 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.43 0.292 . . . . 0.0 111.376 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -177.43 -35.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.826 0.345 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.4 m -58.12 -74.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.504 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 47' ' ' CYS . 42.3 mt-10 -113.14 -0.85 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.341 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 67.39 -9.74 0.39 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.87 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 45' ' ' GLU . 68.7 m 54.3 26.74 7.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.44 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 51' ' ' ILE . 55.6 mtpt -55.23 -26.15 37.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.32 -46.27 84.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.258 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -69.12 -34.51 75.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.069 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 48' ' ' LYS . 77.0 mt -63.54 -52.82 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.559 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 12.8 pt-20 -68.93 -41.06 78.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.244 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -59.52 -36.21 75.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.183 0.516 . . . . 0.0 110.088 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.29 -54.09 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.575 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 18.1 pttp -56.72 -31.27 64.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.078 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.584 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 48.5 mt-10 -81.08 -34.96 32.3 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.648 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.1 t -83.54 -9.93 58.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.73 0.3 . . . . 0.0 111.205 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.4 mmt -102.05 -44.27 5.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.584 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.2 -17.09 63.75 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.122 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.434 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -67.19 -52.37 32.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -163.56 10.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.965 0.412 . . . . 0.0 110.615 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.54 -91.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.426 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -178.13 136.9 0.17 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.861 0.362 . . . . 0.0 111.261 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.487 ' HG3' ' HB3' ' A' ' 22' ' ' PRO . 16.3 mm-40 60.25 -123.11 1.03 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.346 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 58.6 t 65.54 130.17 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 O-C-N 123.014 0.196 . . . . 0.0 111.126 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.547 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -83.99 -176.93 2.84 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.848 2.366 . . . . 0.0 112.281 -179.76 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.7 p 48.23 91.27 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.649 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.5 80.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.1 m120 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.746 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.671 0.272 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 51.5 m 60.26 105.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.376 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -79.61 150.37 31.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.7 p -70.96 150.44 45.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.201 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -166.14 109.86 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.451 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -98.5 90.92 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.208 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt 49.62 97.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.884 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -125.95 102.86 7.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.744 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.424 ' H ' ' H ' ' A' ' 10' ' ' GLN . 11.9 pt-20 -168.49 2.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' H ' ' H ' ' A' ' 9' ' ' GLU . 23.5 tp60 -67.84 107.25 2.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.994 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -118.54 -37.56 3.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 66.49 135.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -68.56 -8.73 44.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.164 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.27 111.44 9.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -111.56 158.55 19.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m 60.55 97.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.69 170.0 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -145.47 -179.22 6.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.1 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt 59.21 99.71 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.239 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.231 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.458 ' HB2' ' HB3' ' A' ' 64' ' ' GLU . 42.8 Cg_endo -87.72 29.48 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.859 2.372 . . . . 0.0 111.853 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm 60.79 70.72 0.92 Allowed Pre-proline 0 C--N 1.33 -0.267 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.44 96.38 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.912 2.408 . . . . 0.0 112.7 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.5 m -167.0 20.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.88 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.4 m -111.01 4.0 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.422 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -168.45 -27.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.517 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.5 p -62.24 125.72 24.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.985 0.421 . . . . 0.0 111.058 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.708 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 28.8 mtpp -141.85 -55.57 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.355 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.708 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 87.7 Cg_endo -75.74 -27.35 8.93 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.18 1.92 . . . . 0.0 112.186 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.58 -36.78 85.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -67.96 -36.98 81.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.114 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.03 -49.23 59.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.783 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.01 -52.32 64.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.023 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -56.51 -43.91 80.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.1 -43.66 87.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -58.61 -44.99 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.52 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -60.94 -38.31 85.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.712 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.422 HG23 ' HA ' ' A' ' 42' ' ' GLN . 77.2 mt -72.04 -26.14 24.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 tt -72.2 -48.7 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -77.17 -57.35 3.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.713 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -74.72 -64.05 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.431 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.07 -178.45 23.76 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' HA ' HG23 ' A' ' 37' ' ' ILE . 78.1 mt-30 -76.39 -5.46 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.666 0.27 . . . . 0.0 111.044 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -165.83 118.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.26 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.8 t -171.49 20.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.46 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 61.54 24.36 14.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.66 -36.33 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.233 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.413 ' O ' HG13 ' A' ' 51' ' ' ILE . 71.7 m -77.66 -22.37 50.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.17 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . 8.6 mtpm? -53.89 -33.35 56.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.85 -43.14 84.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.048 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -67.82 -34.75 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 47' ' ' CYS . 70.9 mt -64.61 -56.28 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -59.82 -37.99 80.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.685 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.75 -38.66 91.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.525 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' O ' ' HG2' ' A' ' 58' ' ' MET . 70.8 t80 -63.74 -57.14 10.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.592 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -55.61 -34.71 65.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.492 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.628 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.2 tt0 -77.49 -32.97 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.696 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.6 t -85.48 -12.84 50.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 87.5 mmm -104.32 -37.78 7.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.628 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -65.26 -7.17 11.91 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.315 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -54.4 -31.96 51.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.523 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -129.35 -19.87 3.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.776 0.322 . . . . 0.0 110.853 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.16 84.31 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.623 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -85.07 -34.6 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.096 0.475 . . . . 0.0 110.546 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 20' ' ' PRO . 14.2 mm-40 -153.12 -22.07 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' HA ' ' HG3' ' A' ' 20' ' ' PRO . 45.2 t -47.21 113.14 2.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.485 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 20' ' ' PRO . 22.7 Cg_exo -64.73 -63.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.584 2.189 . . . . 0.0 112.343 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.7 m -120.17 163.44 17.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.71 154.92 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.766 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.721 0.296 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -126.91 -16.58 5.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -91.94 110.22 21.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.1 p -97.02 173.58 7.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -138.14 120.68 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -96.77 -37.0 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -167.63 126.73 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -76.66 171.65 14.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -126.28 -62.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -143.17 106.86 4.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -117.48 -40.75 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.647 HD22 ' H ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -121.23 175.95 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.386 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.647 ' H ' HD22 ' A' ' 12' ' ' ASN . 80.4 m-70 57.38 92.79 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.886 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.9 2.16 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.436 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.2 149.61 30.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m 56.94 28.01 14.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.095 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -87.03 -42.45 13.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.072 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 4.7 p-10 -123.49 -175.5 3.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.151 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' H ' HG22 ' A' ' 65' ' ' VAL . 21.0 pttp 39.82 101.26 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.57 0 O-C-N 123.786 0.679 . . . . 0.0 112.394 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.698 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 60.9 Cg_endo -72.68 -38.89 2.87 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.243 1.962 . . . . 0.0 112.124 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.602 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 57.5 tptt -165.94 -50.23 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.591 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 21' ' ' LYS . 5.4 Cg_exo -74.36 -22.59 16.18 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.292 1.994 . . . . 0.0 112.48 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.0 p 52.17 17.9 0.78 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.544 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.8 m 59.32 7.77 0.99 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.739 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.7 t 58.33 100.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.878 0.371 . . . . 0.0 111.153 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -120.79 160.85 22.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.11 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.584 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 39.3 ttpt -171.37 -52.24 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.251 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 58.6 Cg_endo -71.29 -54.79 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.052 1.835 . . . . 0.0 112.422 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -57.82 -45.24 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.33 -37.48 85.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.34 -40.15 95.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.26 -41.77 93.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.463 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -62.38 -45.49 92.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -60.04 -44.73 94.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.6 m -58.65 -46.19 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.803 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -56.67 -50.46 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.15 -22.46 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 38' ' ' LEU . 3.3 tt -72.76 -41.63 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.555 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -78.15 -63.53 1.37 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.241 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 44' ' ' SER . 2.5 p30 -90.41 -62.47 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.389 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.34 -171.87 18.08 Favored Glycine 0 N--CA 1.453 -0.172 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -89.14 -8.69 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.677 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -99.94 7.07 45.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.764 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.536 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . 87.6 p -68.72 -150.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -78.2 37.77 0.27 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 63.75 92.89 0.06 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.008 0.432 . . . . 0.0 111.247 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.27 26.49 1.63 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.678 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -63.3 -10.44 16.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.252 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.11 -41.75 75.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -70.24 -34.15 72.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.2 -53.9 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.32 -46.26 90.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.789 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -58.43 -42.12 86.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.329 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.468 ' O ' ' HG2' ' A' ' 58' ' ' MET . 79.8 t80 -56.35 -54.77 41.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.977 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -54.67 -45.5 73.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.613 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.74 -35.85 66.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.446 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t -78.25 -23.69 47.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 33.6 mmt -69.89 -58.44 3.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.497 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -79.61 -17.79 53.03 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.091 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.71 83.32 1.6 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 33.1 t80 59.92 17.21 6.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.949 0.404 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.44 -93.92 0.02 OUTLIER Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -164.71 -66.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.0 0.429 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -163.93 124.24 2.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.043 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.567 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -158.71 152.03 18.86 Favored Pre-proline 0 CA--C 1.533 0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.575 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.698 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 2.7 Cg_endo -81.24 121.14 3.83 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.884 2.389 . . . . 0.0 112.187 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.0 t -164.57 118.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.85 -176.76 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.015 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.3 m -136.13 -67.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -167.27 -58.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.585 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.7 p -102.79 142.95 33.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -131.0 10.88 5.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 tptp 62.93 -82.97 0.02 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -67.83 100.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.846 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -120.8 171.93 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -123.19 164.93 17.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.695 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -130.39 105.21 7.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.44 178.3 8.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.971 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -141.87 100.41 3.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -143.51 136.04 27.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.627 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.99 -70.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -152.64 144.99 24.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.043 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.7 t -87.14 123.58 32.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.767 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -148.85 128.15 12.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.645 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.527 ' N ' ' HG2' ' A' ' 66' ' ' PRO . 18.6 t70 64.43 115.11 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.213 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt 60.85 98.84 0.04 OUTLIER Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.507 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 58.7 Cg_endo -72.93 -72.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.391 2.061 . . . . 0.0 112.411 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.606 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 8.5 ptpp? -161.09 52.13 0.39 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.68 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.606 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 41.9 Cg_endo -94.28 -70.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.917 2.411 . . . . 0.0 111.964 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.512 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 5.9 t 54.13 23.64 4.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.179 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -112.91 -2.66 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.618 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 m -139.27 -0.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.57 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 32.1 p -116.75 114.92 24.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.693 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 62.3 mttp -147.0 -55.4 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.558 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.693 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.6 Cg_endo -75.79 -33.54 3.78 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.131 1.887 . . . . 0.0 112.759 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -53.56 -42.31 67.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.73 -35.61 80.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.01 -43.76 70.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.45 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -64.34 -54.26 35.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -53.6 -43.42 68.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.8 m -63.73 -38.16 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.688 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -60.47 -46.43 90.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 42' ' ' GLN . 2.0 mp -70.21 -29.73 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.63 -44.16 78.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.435 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -84.44 -52.65 6.0 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -74.22 -63.09 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.296 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.62 173.71 23.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.838 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HA ' HG23 ' A' ' 37' ' ' ILE . 47.1 mt-30 -58.45 -18.47 28.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.685 0.279 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -170.78 118.06 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.2 m -150.12 36.69 0.68 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.368 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 64.74 26.49 13.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.338 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -124.48 -28.87 3.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.4 m -58.86 -43.82 90.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.33 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -67.01 -25.4 66.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.201 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.98 -47.15 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.129 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -67.37 -36.7 81.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.394 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.89 -56.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.089 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.92 -37.46 79.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -60.71 -43.72 97.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.256 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' MET . 72.7 t80 -61.39 -61.22 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.739 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -50.45 -51.65 45.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 43.4 tt0 -58.44 -35.28 71.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.436 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.4 t -84.95 -10.37 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.514 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 88.6 mmm -101.82 -26.55 13.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 9.5 ptmt -87.41 -36.19 17.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.825 0.345 . . . . 0.0 110.943 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.16 88.97 1.59 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.802 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 59.25 20.88 9.0 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.897 0.379 . . . . 0.0 110.403 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -66.72 -97.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.733 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -166.47 -76.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.917 0.389 . . . . 0.0 111.455 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 9.7 tp10 -137.0 127.56 26.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.664 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.19 157.79 32.38 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.696 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HG2' ' N ' ' A' ' 18' ' ' ASP . 8.3 Cg_exo -72.57 154.41 54.96 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.633 2.222 . . . . 0.0 112.428 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 t -172.02 169.33 5.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.736 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 57.64 97.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.467 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 t30 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.033 179.847 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.0 p -120.31 161.17 21.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.239 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.56 -178.14 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.0 p -64.66 -64.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -142.45 161.23 38.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.667 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -133.05 -65.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.722 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 4.1 mptp? -65.58 106.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.671 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HG2' ' HG3' ' A' ' 9' ' ' GLU . 62.2 tt0 -140.97 -58.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG3' ' HG2' ' A' ' 8' ' ' GLN . 44.6 mt-10 -130.33 8.04 5.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.02 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 60.36 104.58 0.02 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.181 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 57.8 -166.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -82.89 6.73 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -60.1 124.99 21.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.77 -11.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.286 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 63.93 158.82 0.09 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.0 t -138.96 110.67 7.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -134.97 -177.8 4.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.65 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 35.0 t70 -139.13 145.24 39.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.015 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 23' ' ' CYS . 12.0 mmmm 55.31 89.59 0.1 Allowed Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.673 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 36.9 Cg_endo -72.89 -39.79 2.18 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.159 1.906 . . . . 0.0 112.301 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' H ' ' HD2' ' A' ' 22' ' ' PRO . 4.5 tppp? 179.63 -47.5 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.89 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.673 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 86.0 Cg_endo -78.32 -113.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.309 2.006 . . . . 0.0 112.653 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.448 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . 36.7 t 54.15 25.45 5.69 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.3 t -112.89 -29.51 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.359 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.78 -31.44 44.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.178 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.5 p -60.75 146.65 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.587 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 64.0 tttp -167.38 -50.22 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.395 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 34.1 Cg_exo -60.0 -54.43 2.31 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.022 1.814 . . . . 0.0 112.137 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.82 -29.98 69.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -65.97 -43.11 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.363 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.63 -39.92 84.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.751 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.71 -54.65 39.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' O ' HG12 ' A' ' 37' ' ' ILE . 74.6 ttt180 -55.6 -48.99 73.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.727 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.59 -47.13 67.1 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.661 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.6 m -58.43 -40.93 83.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.276 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.5 t -67.94 -29.05 68.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.531 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 33' ' ' ARG . 33.5 mm -68.2 -44.94 83.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.1 mt -76.46 -28.31 56.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.66 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -86.33 -20.76 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -121.38 -64.7 1.2 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.665 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 37' ' ' ILE . . . -178.57 175.18 47.23 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.689 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HA ' HG23 ' A' ' 37' ' ' ILE . 6.3 tp-100 -55.87 -18.83 9.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.69 0.281 . . . . 0.0 111.095 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -165.35 -45.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.3 p 48.42 -159.49 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.263 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -121.5 -2.36 9.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 3.2 mptp? -104.26 1.96 31.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.7 t -114.2 -16.52 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.999 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HA ' HD12 ' A' ' 51' ' ' ILE . 7.8 mtpm? -61.87 -23.26 66.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.27 -46.99 84.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -66.76 -32.78 74.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 48' ' ' LYS . 57.6 mt -66.32 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 111.341 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.2 -40.76 82.44 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.994 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.31 -40.58 96.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.226 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -59.8 -60.78 3.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' O ' ' HD2' ' A' ' 59' ' ' LYS . 65.0 mttm -50.78 -57.69 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.559 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.26 -34.65 68.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.413 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -84.87 -14.8 46.73 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.479 ' HB2' ' HG3' ' A' ' 64' ' ' GLU . 97.1 mmm -104.93 -11.41 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 55' ' ' LYS . 10.5 ptmt -100.6 -14.66 18.08 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.298 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.5 -63.87 4.7 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.234 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -143.34 13.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.512 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.55 -125.1 5.47 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.776 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' PRO . 96.7 m-85 -143.27 134.59 26.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.654 0.264 . . . . 0.0 110.893 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.479 ' HG3' ' HB2' ' A' ' 58' ' ' MET . 0.1 OUTLIER -173.57 -174.74 1.02 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.055 0.455 . . . . 0.0 111.371 179.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.53 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 30.0 m -58.84 162.8 6.28 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.403 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.586 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 1.6 Cg_endo -82.96 -20.77 5.1 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.985 2.457 . . . . 0.0 112.466 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.7 t -68.52 159.52 31.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.237 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -161.86 109.89 1.43 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.916 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.7 p -130.52 -47.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.999 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -77.4 178.6 7.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.747 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.1 p -133.7 150.87 51.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.5 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -146.85 102.86 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.679 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -124.55 154.01 41.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -63.79 101.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 55.45 95.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -107.11 124.97 50.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -151.2 111.54 4.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.786 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 63.42 116.27 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.254 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -113.64 139.54 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -133.6 123.74 25.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.713 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.42 -40.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.423 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -65.6 156.0 34.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.3 m 63.51 110.95 0.03 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.144 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -143.67 -64.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.992 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.463 ' HA ' ' HG2' ' A' ' 66' ' ' PRO . 16.6 m-20 -119.59 165.92 13.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 4.1 mppt? 60.31 106.79 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.067 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.599 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 57.8 Cg_endo -71.23 -78.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.212 1.941 . . . . 0.0 112.554 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.583 ' HB2' ' HD3' ' A' ' 22' ' ' PRO . 49.2 mmtm -110.16 -49.99 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.844 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.599 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 88.6 Cg_exo -48.28 -81.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.325 2.017 . . . . 0.0 113.031 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 21.0 t 52.68 21.1 1.75 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.859 0.361 . . . . 0.0 111.174 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.0 t -106.32 -32.17 8.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.227 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 t -84.21 53.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.023 0.44 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.8 p -168.87 112.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.784 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 99.6 mttt -136.25 -54.27 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.605 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.784 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 58.7 Cg_endo -71.87 -52.76 0.19 Allowed 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.903 1.735 . . . . 0.0 112.1 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -65.33 -34.95 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.642 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -65.39 -51.42 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.761 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -59.38 -49.55 77.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.265 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.09 -39.23 81.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -62.01 -56.61 17.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -55.88 -35.93 67.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.0 m -61.63 -50.3 73.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.1 t -57.83 -44.14 86.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.786 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 71.6 mt -69.93 -23.77 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.24 -52.49 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -80.87 -54.66 5.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.845 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -74.74 -64.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.647 0.26 . . . . 0.0 111.305 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.52 179.4 17.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.571 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -62.23 -20.04 63.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.718 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -145.32 -87.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 t 56.24 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -110.53 43.0 1.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 58.98 86.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.008 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.61 9.56 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -76.23 -6.96 53.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.736 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -43.9 82.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.53 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -65.04 -32.68 74.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.747 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.3 mt -64.51 -53.58 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.69 -45.26 92.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.95 -37.02 83.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' MET . 81.3 t80 -62.37 -61.91 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 59' ' ' LYS . 93.6 mttt -56.98 -34.31 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.63 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.562 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 37.3 tt0 -62.77 -45.66 91.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.382 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.1 m -84.81 -9.34 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.574 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.478 ' HB3' ' HB3' ' A' ' 63' ' ' PHE . 26.3 mmt -101.71 -14.27 17.43 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HD3' ' HA ' ' A' ' 56' ' ' GLU . 8.2 pttp -90.96 -17.21 26.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.05 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.83 -10.89 41.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.65 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -99.74 -33.11 10.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.791 0.329 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.8 70.33 0.35 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.607 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.478 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 67.2 t80 -142.59 113.77 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.23 130.5 37.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.511 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 15.3 m -118.57 164.06 22.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.567 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 23.4 Cg_exo -65.18 -27.01 56.74 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.392 2.061 . . . . 0.0 112.432 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.6 p -78.28 131.25 36.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -116.92 99.38 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.25 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.819 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -100.93 -61.51 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -85.98 -35.71 20.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.6 p -93.94 158.54 15.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.256 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.18 161.2 28.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.808 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -65.22 100.0 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.448 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.07 128.71 36.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.115 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -136.89 -52.86 0.7 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.735 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.67 -24.01 67.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.688 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -69.65 135.29 49.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -96.38 4.83 51.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.87 106.95 2.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -139.74 -49.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.27 -42.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -101.44 112.72 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.6 p -131.44 108.25 9.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.737 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -108.42 -50.91 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.051 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -126.54 159.77 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.717 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.6 tttp 56.98 93.69 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 98.1 Cg_endo -90.0 -60.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.789 2.326 . . . . 0.0 112.262 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.528 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 20.9 pttp -175.53 57.06 0.17 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.392 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 31.4 Cg_exo -58.42 85.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.691 2.26 . . . . 0.0 112.637 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -171.62 86.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.2 t -174.07 -32.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.759 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.2 p -133.84 -19.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.3 p -60.74 126.36 27.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.795 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 67.9 mttm -135.74 -54.26 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.776 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.795 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 54.6 Cg_endo -69.27 -55.02 0.21 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.034 1.823 . . . . 0.0 112.825 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.81 -40.49 97.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.004 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.69 -34.71 78.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.07 -45.67 69.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.49 -44.51 96.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.721 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -63.3 -42.43 99.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.745 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.47 -39.67 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.1 m -63.6 -45.02 92.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.84 -49.42 77.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.657 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.527 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 81.7 mt -61.12 -34.17 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.087 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 tp -73.7 -29.03 62.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -75.73 -67.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.413 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -153.3 12.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.235 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -69.88 -158.37 2.07 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.74 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 72.16 -22.58 0.21 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 122.61 0.364 . . . . 0.0 111.152 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 41' ' ' GLY . 5.6 p-10 -176.29 78.28 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.7 t -170.97 -56.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 47' ' ' CYS . 42.6 mt-10 -116.85 12.5 14.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 35.4 mmtp 71.99 -25.82 0.18 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.831 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 45' ' ' GLU . 83.5 m 56.67 20.79 5.29 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.682 0.277 . . . . 0.0 111.382 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HG3' ' HB3' ' A' ' 46' ' ' LYS . 52.7 mtmt -85.52 -11.47 54.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.761 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.63 -47.01 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -69.51 -37.02 76.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.067 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.72 -51.33 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 46.4 mt-10 -68.63 -37.62 79.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 4.4 ttmp? -61.52 -33.87 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.273 0.559 . . . . 0.0 109.673 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -71.41 -53.38 14.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.853 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 17.7 pttp -58.13 -33.12 68.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.273 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.634 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 48.9 mt-10 -80.49 -34.43 35.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.2 t -84.6 -13.65 51.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.1 mmt -104.89 -41.21 5.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.634 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -57.51 -25.56 60.0 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.481 -178.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -61.83 -77.85 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.345 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -134.65 5.5 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.492 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.56 -100.86 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.924 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -169.77 176.38 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 111.095 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 55.99 -169.26 0.09 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.019 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.509 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 35.4 t 64.4 120.6 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.298 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.496 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 71.0 Cg_endo -91.83 157.06 3.41 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.851 2.367 . . . . 0.0 112.444 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.3 m -84.17 156.42 22.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.48 155.63 28.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.064 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.7 t30 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.808 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.828 0.347 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.8 m -106.51 -58.15 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -100.64 121.44 41.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.6 p -90.06 -174.8 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.72 106.23 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.192 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -131.38 -69.55 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -74.72 116.66 15.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.527 ' H ' ' NE2' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -62.66 147.25 50.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -108.57 -7.11 15.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -103.31 134.77 46.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.024 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -86.57 178.35 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.514 HD22 ' N ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER 61.13 101.19 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.087 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -87.28 152.23 22.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.08 -46.24 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 64.06 148.55 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.024 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.8 m -100.79 110.57 22.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -130.54 -173.52 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.33 156.38 39.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.992 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 61.05 104.58 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.172 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.618 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 58.8 Cg_endo -91.95 -61.17 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.922 2.414 . . . . 0.0 112.178 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.582 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 50.4 pttt -171.66 55.9 0.22 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.586 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 7.2 Cg_exo -72.66 103.94 1.64 Allowed 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.473 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 26.3 m -153.88 12.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.394 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -120.02 9.02 11.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.721 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.6 p -143.3 -23.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.884 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 30.8 p -83.64 141.17 31.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.233 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.53 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 24.2 tptm -170.86 -53.29 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.15 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.53 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.9 Cg_endo -75.96 -53.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.17 1.913 . . . . 0.0 112.526 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.44 -30.19 71.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.197 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.42 -45.26 84.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.14 -42.87 79.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.07 -40.55 96.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -66.25 -43.29 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.98 -46.72 88.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -62.01 -40.82 96.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.0 t -59.92 -42.53 94.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.8 mt -76.89 -22.21 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.987 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -72.64 -44.37 61.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.708 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -87.99 -46.45 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -74.79 -64.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.713 0.292 . . . . 0.0 111.103 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.09 -167.0 24.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -80.86 -12.11 59.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.605 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.83 -76.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 t 62.1 -83.71 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -157.19 55.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.652 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 59.42 89.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p -103.95 18.09 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -66.92 -6.69 17.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.231 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -53.52 -47.75 69.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.25 -32.68 74.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.44 -50.52 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 12.5 pt-20 -68.1 -26.65 65.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 110.562 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.56 -45.19 76.34 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' A' ' 58' ' ' MET . 86.2 t80 -61.66 -56.06 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.121 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 12.4 ptmm? -53.48 -37.46 62.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.456 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.55 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 42.9 tt0 -66.14 -36.92 84.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.9 t -80.89 -13.8 58.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.44 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 93.9 mmm -81.19 -61.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.345 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -74.99 -6.99 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' HD3' ' A' ' 59' ' ' LYS . . . -68.68 -21.03 74.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.26 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -130.08 -42.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.603 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.02 104.49 2.87 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.435 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -139.16 -77.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 111.072 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -136.49 76.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.493 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -138.89 134.47 17.03 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.618 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -84.47 140.12 8.24 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.941 2.428 . . . . 0.0 112.169 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.4 p -169.88 174.0 5.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.002 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.62 -1.95 0.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.956 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.0 mtm . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.911 0.386 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t -117.48 147.07 43.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.211 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.93 104.61 5.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.4 p -79.32 143.24 35.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -163.31 127.04 2.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.332 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -142.24 -68.08 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.702 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -69.56 121.11 16.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.17 170.67 7.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -76.85 142.19 40.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -63.53 130.21 43.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.762 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -124.51 -65.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -80.08 126.96 31.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.981 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -91.42 -45.38 8.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.15 119.52 5.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -92.29 -175.01 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.49 145.68 47.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.41 19.92 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.962 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -134.48 17.5 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.987 0.422 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -171.89 114.9 0.41 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.758 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.626 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 49.8 Cg_endo -69.69 -38.24 8.22 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.217 1.944 . . . . 0.0 112.052 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 4.9 tppp? -170.09 -50.64 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.35 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.626 ' HD2' ' HG2' ' A' ' 20' ' ' PRO . 87.9 Cg_endo -87.14 164.82 8.5 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.329 2.02 . . . . 0.0 112.687 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.8 t -170.61 9.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.9 m -101.48 10.69 40.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.2 -25.0 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 p -97.05 124.44 41.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.771 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 55.3 mtpt -148.77 -53.88 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.014 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.771 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 25.7 Cg_endo -61.09 -55.74 1.18 Allowed 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.002 1.801 . . . . 0.0 112.879 -179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.39 -34.07 76.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.961 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -66.03 -38.18 87.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.348 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.23 -42.66 79.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.698 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -61.49 -44.47 97.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -63.1 -50.65 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.04 -42.56 85.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.002 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.6 m -62.76 -39.37 93.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 t -64.63 -41.3 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.405 ' O ' ' HA2' ' A' ' 41' ' ' GLY . 69.0 mt -74.55 -23.92 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' O ' HD13 ' A' ' 38' ' ' LEU . 1.5 tm? -73.08 -47.21 46.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.449 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -80.39 -58.37 3.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.588 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -74.67 -63.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.3 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 37' ' ' ILE . . . 113.98 153.13 10.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.569 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.17 3.25 15.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -103.36 0.73 31.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.008 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -97.44 -71.77 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.051 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 47' ' ' CYS . 9.2 mm-40 -114.15 7.85 16.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.694 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER 67.1 -8.14 0.46 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.577 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 45' ' ' GLU . 34.0 t 53.42 20.61 2.07 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.75 0.31 . . . . 0.0 111.071 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HA ' HD12 ' A' ' 51' ' ' ILE . 21.8 ptmt -62.52 -30.87 71.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.259 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -58.5 -46.78 85.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -65.46 -32.65 74.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 48' ' ' LYS . 68.7 mt -63.42 -55.69 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.371 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.93 -41.12 97.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.357 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -59.04 -57.37 13.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.933 0.397 . . . . 0.0 109.981 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -55.83 -37.12 68.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.074 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -61.32 -56.68 17.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.259 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.3 -21.98 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.337 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -84.33 -25.03 29.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.195 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.1 mmt -100.89 -66.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.538 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -58.35 -43.66 88.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.704 0.288 . . . . 0.0 111.027 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.55 86.58 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.207 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 55.43 71.66 0.53 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.907 0.384 . . . . 0.0 110.719 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.57 -102.25 1.08 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.682 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -172.16 -31.82 0.01 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 0.0 111.361 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HB3' ' HG2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -119.78 173.64 6.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.763 -179.18 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.485 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 58.0 t 65.98 132.2 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.649 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 7.3 Cg_exo -74.58 -163.24 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.014 2.476 . . . . 0.0 112.27 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.6 t -117.92 109.29 16.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.21 -12.23 15.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.846 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.7 p -83.08 -51.84 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.253 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.53 103.51 3.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.01 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.5 p -83.01 -64.67 1.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.075 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.38 119.55 23.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -144.77 -59.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 7' ' ' LYS . 3.7 mppt? -62.79 117.77 6.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -85.48 -174.81 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.6 -27.83 65.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.828 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 60.26 -175.19 0.11 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.83 158.06 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -94.46 14.37 20.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m80 60.5 98.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.75 -21.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.22 158.0 35.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 p -78.27 158.03 29.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -122.52 -27.5 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.494 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -115.31 -170.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.639 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 pttm 37.92 86.9 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.82 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.625 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 94.8 Cg_endo -84.18 -46.48 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.684 2.256 . . . . 0.0 111.841 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 21.1 ptmt -165.97 47.33 0.15 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.536 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 6.0 Cg_exo -35.58 117.03 0.13 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.773 2.982 . . . . 0.0 112.953 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.618 ' SG ' HG12 ' A' ' 25' ' ' VAL . 1.5 p -96.58 -160.92 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.404 ' H ' ' HB2' ' A' ' 23' ' ' CYS . 80.6 m -74.43 -21.87 59.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.969 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.618 HG12 ' SG ' ' A' ' 23' ' ' CYS . 4.8 p -70.93 -6.76 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.915 0.388 . . . . 0.0 111.274 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.6 m -74.45 -0.9 18.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.19 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 75.7 mmtt 62.66 161.91 0.12 Allowed Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.377 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 30.9 Cg_endo -63.45 -18.13 63.16 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.636 2.224 . . . . 0.0 112.402 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -46.27 -39.95 10.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.35 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 22' ' ' PRO . 37.7 ttpt -62.54 -48.26 80.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.7 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.1 -40.36 85.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.11 -35.45 79.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.729 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -63.33 -52.52 61.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.461 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.8 -42.42 93.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.564 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.4 m -61.31 -38.16 85.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.713 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.77 -47.52 80.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.572 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.3 mt -71.9 -20.67 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.227 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 tt -76.69 -48.1 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -86.36 -58.06 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.45 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.78 -63.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.787 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.35 168.69 13.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.672 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -77.57 -13.77 59.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.006 0.431 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -82.71 -23.2 34.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.993 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.6 m -58.03 101.28 0.07 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.431 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 17.4 mm-40 61.16 -94.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.646 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 6.2 mmtm -155.6 -33.35 0.09 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.656 0.265 . . . . 0.0 111.195 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.5 m 56.49 21.7 5.87 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.776 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -72.9 -26.04 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.132 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.7 -39.48 80.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -69.43 -33.98 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.17 -52.84 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.25 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.19 -43.03 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -62.45 -51.41 67.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.457 ' O ' ' HG2' ' A' ' 58' ' ' MET . 91.7 t80 -54.04 -61.26 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -51.64 -44.11 62.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.82 -34.14 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.717 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.9 m -83.71 -17.65 40.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 34.2 mmt -84.67 -71.89 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -6.53 40.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.333 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.98 -19.66 65.95 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.15 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -128.13 -51.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.503 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.77 105.77 3.0 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.828 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -170.4 -15.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.729 0.299 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.613 ' HG3' ' H ' ' A' ' 65' ' ' VAL . 3.6 tp10 -152.67 -167.4 2.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.613 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 69.9 t 67.6 131.87 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.264 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.162 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.625 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 5.3 Cg_exo -77.46 -23.94 9.54 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.633 2.222 . . . . 0.0 112.148 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.503 ' H ' HG12 ' A' ' 65' ' ' VAL . 53.6 m -87.66 138.47 31.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.225 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 60.36 99.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.364 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.927 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.775 0.321 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.5 p -74.55 145.78 43.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -85.76 -71.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.699 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.9 p -136.12 -64.55 0.61 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 55.44 21.34 4.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -63.42 149.76 45.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.788 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.603 ' H ' ' HD3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.08 134.59 44.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.095 -179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -119.6 173.96 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -69.65 177.67 2.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.25 151.56 47.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.002 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -103.06 168.82 8.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.55 179.624 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 57.6 -161.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -57.99 157.04 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.95 5.66 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 60.5 178.67 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.71 109.55 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -129.03 15.7 6.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.766 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 63.02 154.29 0.04 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.674 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 66' ' ' PRO . 64.7 tttp 57.29 93.72 0.05 OUTLIER Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.232 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.521 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 71.2 Cg_endo -76.59 -80.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.371 2.047 . . . . 0.0 112.231 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.642 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 58.7 pttt -173.49 49.4 0.09 OUTLIER Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.378 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.642 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 41.3 Cg_endo -91.67 -75.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.606 2.204 . . . . 0.0 112.466 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.2 t 57.54 17.66 4.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p -111.1 -4.33 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -115.25 6.49 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.39 140.17 46.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 87.4 tttt -168.84 -51.95 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.26 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 59.1 Cg_endo -72.45 -53.35 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.121 1.881 . . . . 0.0 112.392 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.46 -33.13 70.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.727 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -68.29 -41.21 81.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.786 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.71 -43.44 93.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.7 -44.58 93.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.91 -55.68 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.449 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.69 -51.41 68.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.42 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.4 m -53.81 -44.85 70.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -58.97 -49.77 76.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -70.61 -16.88 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.147 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -49.0 18.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -85.73 -21.22 28.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.789 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -105.05 -64.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.685 0.278 . . . . 0.0 111.303 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.01 174.89 14.4 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -73.49 -13.35 61.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.935 0.398 . . . . 0.0 110.686 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.72 103.46 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.2 t -168.61 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.604 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.15 16.91 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.577 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 12.1 mptt 60.92 90.01 0.07 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 p -81.66 12.71 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.005 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 4.6 ttmp? -58.56 -24.03 59.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.12 -43.64 95.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.06 -33.3 75.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.086 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.07 -58.64 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.79 -34.32 69.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.783 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -66.59 -49.07 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.541 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -56.63 -59.69 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.632 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -49.89 -56.95 8.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.528 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 11.2 tp10 -59.28 -30.33 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.572 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.1 t -85.02 -13.74 49.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.301 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.597 ' HB3' ' HB3' ' A' ' 64' ' ' GLU . 24.9 mmt -104.92 -18.54 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 56' ' ' GLU . 13.2 pttt -102.81 -36.88 8.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.67 0.271 . . . . 0.0 110.974 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.36 87.76 0.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.806 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 62.03 17.15 8.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.809 0.337 . . . . 0.0 110.698 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.97 -128.92 0.16 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.541 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -175.51 -23.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 111.002 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.597 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 0.7 OUTLIER -57.48 -82.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.632 -179.815 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.436 HG12 ' H ' ' A' ' 19' ' ' LYS . 11.6 m -55.52 160.03 4.22 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.245 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.521 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 6.4 Cg_exo -73.73 -174.73 1.79 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.611 2.207 . . . . 0.0 112.117 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.1 t -151.39 21.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.528 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 59.85 93.38 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.198 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.948 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 mtt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.78 0.324 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t -78.63 138.5 38.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -63.81 129.9 41.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.7 p -143.42 -65.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.0 t70 62.42 4.36 1.3 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.246 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.0 tptm 62.34 158.38 0.06 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.91 0.386 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.65 145.18 29.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -81.66 -78.36 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -158.85 -57.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -76.18 134.15 39.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.66 143.91 39.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -92.23 146.5 23.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.023 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.0 m80 56.79 89.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.86 174.78 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.9 129.6 40.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -94.06 103.36 15.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -124.85 -60.14 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.461 ' HA ' ' HG2' ' A' ' 66' ' ' PRO . 13.0 m-20 -138.91 -170.65 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.766 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 3.9 mppt? 59.09 95.65 0.05 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.665 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 84.7 Cg_endo -89.8 63.37 2.11 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.775 2.317 . . . . 0.0 111.93 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 10.3 mtmp? 57.59 85.93 0.18 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG3' ' HE2' ' A' ' 30' ' ' LYS . 9.6 Cg_endo -51.45 155.83 6.71 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.869 2.379 . . . . 0.0 112.632 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 25' ' ' VAL . 2.3 p -115.89 -69.63 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.049 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.1 p -172.7 -31.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 ' SG ' ' A' ' 23' ' ' CYS . 23.3 m -59.63 -18.85 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.324 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 m -62.57 117.45 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.595 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' H ' ' HE1' ' A' ' 58' ' ' MET . 35.4 mmtp -56.67 156.66 11.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.667 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.39 -18.52 14.88 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.924 2.416 . . . . 0.0 112.558 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -46.02 -41.53 12.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HE2' ' HG3' ' A' ' 22' ' ' PRO . 63.5 tttp -60.15 -43.16 95.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.45 -46.48 89.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.812 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.63 -40.38 87.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -61.62 -46.6 89.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.436 . . . . 0.0 110.415 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 15.6 t70 -55.45 -56.79 16.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.743 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.432 HG22 ' HE2' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -51.99 -45.58 64.56 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.692 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 53.7 t -52.87 -43.56 66.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.048 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.49 -25.24 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.835 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 34' ' ' ASP . 73.4 mt -64.64 -53.6 45.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.628 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' HE2' HG22 ' A' ' 35' ' ' THR . 15.0 p90 -91.59 -41.44 10.77 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 36' ' ' CYS . 95.4 m-20 -84.39 -64.32 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.61 -169.09 18.59 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.727 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -99.79 -0.33 40.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.617 0.246 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.5 13.12 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.322 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -56.77 -51.95 66.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.192 0.52 . . . . 0.0 110.186 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 23.5 mm-40 -142.87 -77.46 0.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.05 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 17.0 mmtp -166.67 86.87 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.9 p -99.71 8.61 44.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.64 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -67.44 -23.82 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.801 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -58.93 -45.21 90.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.073 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -61.48 -33.74 74.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.9 mt -67.7 -50.4 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -59.82 -40.6 88.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.979 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.61 -39.72 88.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.777 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' O ' ' HG2' ' A' ' 58' ' ' MET . 75.4 t80 -59.24 -61.41 2.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.325 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -51.34 -50.81 58.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.325 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 39.7 tt0 -57.3 -39.57 76.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.777 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.29 -10.41 56.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.826 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.574 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . 25.9 mmt -104.98 -12.68 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 10.8 ptmt -95.17 -28.32 15.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.764 0.316 . . . . 0.0 111.2 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.1 -77.65 0.84 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.163 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -107.76 14.74 25.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 0.0 110.458 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.574 ' HA3' ' HA ' ' A' ' 58' ' ' MET . . . -81.81 -131.19 1.32 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.72 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 t80 176.57 -31.35 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.745 0.307 . . . . 0.0 110.965 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -105.84 103.77 13.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.491 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 67' ' ' SER . 3.0 p -179.23 109.67 0.2 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.83 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.665 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 5.2 Cg_exo -80.2 3.25 7.8 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.783 2.322 . . . . 0.0 112.03 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.418 ' H ' HG22 ' A' ' 65' ' ' VAL . 52.1 m 60.67 179.43 0.1 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.294 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.05 143.57 32.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.04 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.804 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.808 0.337 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.4 p -85.6 121.95 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.058 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -121.83 122.52 39.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.0 p -95.95 177.67 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.298 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -140.43 13.82 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.41 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 58.34 -164.21 0.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.742 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -148.48 123.23 9.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -144.48 149.68 36.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -77.43 156.24 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -136.55 -176.44 4.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.867 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -119.1 -42.43 2.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.9 t30 61.73 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.047 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -139.72 134.0 31.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.766 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.36 173.34 17.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -96.1 134.38 39.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.9 t -149.68 156.17 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -94.79 -60.34 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -120.95 145.14 48.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.696 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? 59.83 98.57 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.194 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.639 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 53.5 Cg_endo -91.56 -59.57 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.805 2.337 . . . . 0.0 111.748 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.567 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 54.6 pttt -169.03 54.78 0.25 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.909 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.567 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 68.5 Cg_endo -93.24 135.48 1.17 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.167 2.578 . . . . 0.0 113.169 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 7.5 t -174.11 16.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.9 m -103.11 -12.44 17.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.795 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' HB ' ' CD1' ' A' ' 63' ' ' PHE . 2.2 t -129.47 12.89 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.205 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 17.5 p -138.3 153.79 49.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 23.9 tptm -173.27 -55.05 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.589 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 83.8 Cg_endo -75.9 -35.27 2.62 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.066 1.844 . . . . 0.0 112.703 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.81 -52.03 61.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.306 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -53.73 -39.36 65.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.135 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.78 -38.48 86.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.3 -58.01 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -57.99 -43.13 86.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -53.91 -55.42 27.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.5 m -54.67 -46.5 74.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 t -56.02 -38.45 70.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.9 mt -74.77 -27.35 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.025 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.92 -38.29 69.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.391 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -89.0 -30.16 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.746 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -98.61 -64.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.663 0.268 . . . . 0.0 111.28 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.65 174.48 13.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.658 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -77.54 -5.05 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.678 0.275 . . . . 0.0 111.195 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -157.06 95.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.995 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.4 t -170.82 117.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.39 20.68 4.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER 59.48 88.82 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.888 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 81.3 m -85.26 12.45 8.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -72.68 -6.82 47.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.55 -45.32 92.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.27 -38.25 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' TYR . 71.6 mt -62.66 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.992 0.425 . . . . 0.0 110.812 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.04 -51.74 66.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.565 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -54.12 -36.97 63.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.228 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.468 ' O ' ' HG2' ' A' ' 58' ' ' MET . 16.2 t80 -60.07 -61.2 2.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.818 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -54.15 -57.06 12.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.708 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.75 -35.35 63.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.2 p -84.81 -14.53 47.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.713 0.292 . . . . 0.0 111.13 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 25.5 mmt -98.42 -73.83 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.754 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -67.57 -6.57 20.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.631 0.253 . . . . 0.0 111.625 -179.63 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.18 -14.1 31.15 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.626 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -137.18 -34.95 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 110.677 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 59' ' ' LYS . . . -167.68 -105.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.234 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.426 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 28.4 t80 57.0 174.55 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.807 0.336 . . . . 0.0 111.205 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 22' ' ' PRO . 8.5 mm-40 -107.37 108.7 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.261 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 59.6 t -138.38 134.48 17.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.539 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.639 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 11.1 Cg_exo -69.84 170.6 16.29 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.496 2.13 . . . . 0.0 111.989 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.5 m -79.04 155.01 29.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.96 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.43 -5.12 57.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.42 HD22 ' C ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.812 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mmt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.5 t -154.02 155.52 35.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.008 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -101.46 152.12 21.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.948 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -129.3 152.48 48.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -155.11 144.09 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -144.79 105.03 4.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.035 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -68.92 104.14 2.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.693 ' HG2' ' H ' ' A' ' 10' ' ' GLN . 35.9 tt0 -157.07 -80.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.736 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 58.61 25.55 13.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.693 ' H ' ' HG2' ' A' ' 8' ' ' GLN . 85.9 mm-40 -124.14 104.65 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.048 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -105.25 -42.77 5.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.95 126.73 36.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.82 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -87.33 -74.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.044 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.2 -36.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.218 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.55 147.7 44.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.013 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.3 p -140.64 14.23 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.76 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.35 173.68 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.074 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -124.82 -162.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.526 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? 39.7 93.44 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.377 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.982 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.686 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 52.1 Cg_endo -89.88 -68.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.84 2.36 . . . . 0.0 111.694 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 20' ' ' PRO . 10.0 mptt -136.55 68.85 60.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.707 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.36 166.06 15.99 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.857 2.371 . . . . 0.0 113.03 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 4.6 t 65.06 -172.97 0.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.024 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t 66.62 0.89 1.97 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 t -141.24 -27.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 28.0 p -96.86 138.54 34.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.063 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 23.8 tptm -172.62 -51.31 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.199 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.575 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.1 Cg_endo -75.31 -43.58 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.055 1.837 . . . . 0.0 112.546 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -64.76 -50.08 68.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -59.75 -36.58 76.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.24 -54.53 31.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.84 -29.07 69.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.154 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -68.57 -58.24 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.824 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -58.29 -36.48 73.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.7 m -64.36 -48.64 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.7 t -58.04 -46.8 84.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.546 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 67.2 mt -62.8 -50.33 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.916 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.45 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.978 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -81.75 -72.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 44' ' ' SER . 42.7 m-80 -141.82 38.88 1.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -112.03 -139.38 7.7 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.644 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 41' ' ' GLY . 35.7 tt0 71.52 -21.91 0.2 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.46 0.304 . . . . 0.0 111.707 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' A' ' 41' ' ' GLY . 4.5 p-10 -173.74 30.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.647 0.26 . . . . 0.0 111.221 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.455 ' HB2' ' O ' ' A' ' 40' ' ' ASN . 69.5 m -129.97 128.48 42.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 110.993 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 60.89 10.11 2.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.318 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm 60.38 91.14 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.077 0.465 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.42 -7.53 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.408 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -60.63 -14.68 21.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.9 -46.96 87.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -62.16 -34.88 77.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.815 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.04 -48.8 84.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.678 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -58.55 -45.32 89.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.595 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -60.01 -40.68 90.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.378 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.423 ' O ' ' HG2' ' A' ' 58' ' ' MET . 80.0 t80 -56.86 -57.11 13.91 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.306 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -52.1 -55.49 20.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.544 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -57.94 -24.37 57.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.91 -24.19 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.181 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.5 ' HE2' ' HB2' ' A' ' 64' ' ' GLU . 71.2 mmm -87.33 -57.97 2.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.105 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -61.95 -19.24 62.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.28 -26.96 69.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.311 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -114.62 -59.07 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 110.629 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.26 91.79 1.78 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.73 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -155.08 -54.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.019 0.437 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.5 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 48.1 mt-10 -106.71 167.62 9.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.651 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.4 t 61.27 102.75 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.134 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.686 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 2.9 Cg_endo -81.85 -67.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.018 2.479 . . . . 0.0 112.399 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -77.73 171.85 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.041 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.24 -37.89 15.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.0 t30 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.799 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.2 m 65.45 143.22 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.339 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -116.13 116.36 27.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.6 p -116.45 168.15 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -120.12 145.17 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -75.21 -6.21 48.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -63.38 116.14 5.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 55.26 39.8 31.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -55.94 122.33 11.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.878 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -102.98 -177.24 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.44 136.18 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -71.22 177.3 3.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -128.55 135.43 49.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.44 139.08 17.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.981 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -122.01 20.79 10.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.814 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -142.36 104.74 4.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -109.3 124.03 50.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.002 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 6.9 p-10 -150.53 -171.9 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 19' ' ' LYS . 9.8 mtmp? 59.15 93.91 0.05 OUTLIER Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.665 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 74.2 Cg_endo -87.54 -59.66 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.64 2.226 . . . . 0.0 112.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -168.77 82.0 0.72 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.978 179.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -44.44 122.24 3.73 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.897 2.398 . . . . 0.0 112.995 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.603 ' SG ' HG22 ' A' ' 25' ' ' VAL . 1.8 p -98.63 -159.65 0.75 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.034 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' H ' ' HB2' ' A' ' 23' ' ' CYS . 28.3 p -86.38 -14.64 42.85 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.603 HG22 ' SG ' ' A' ' 23' ' ' CYS . 3.2 m -66.76 -24.14 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 111.023 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.9 p -136.32 131.13 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 39.6 ttpt -167.02 -50.25 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.397 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 35.3 Cg_exo -60.41 -31.64 92.89 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.024 1.816 . . . . 0.0 112.126 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.34 -51.17 70.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -57.95 -38.82 76.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.179 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.33 -44.18 95.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.66 -43.2 99.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.103 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -60.36 -54.86 40.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.89 -44.9 82.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.293 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.6 m -57.85 -45.58 86.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.177 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.06 -44.19 97.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.505 HG23 ' HA ' ' A' ' 42' ' ' GLN . 69.6 mt -71.03 -21.19 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -50.7 14.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.29 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -80.04 -51.77 8.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.666 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.56 -63.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.14 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.03 -178.37 22.1 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.505 ' HA ' HG23 ' A' ' 37' ' ' ILE . 5.3 pm0 -62.49 -17.13 58.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.797 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -152.85 -80.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.766 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.3 m 49.0 -90.79 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.473 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -95.22 30.55 2.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.994 0.426 . . . . 0.0 110.53 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 3.3 mptp? 60.77 87.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.147 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.3 m -92.45 10.5 29.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.597 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.27 -23.78 62.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.811 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -52.64 -41.48 63.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -66.04 -32.44 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.249 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.09 -52.73 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.259 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -43.27 99.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.084 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.99 -49.58 76.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -55.82 -61.25 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.041 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -51.06 -53.99 28.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.625 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HA ' ' HZ2' ' A' ' 59' ' ' LYS . 44.4 mt-10 -59.06 -31.12 68.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.66 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.8 m -84.56 -15.26 46.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.738 0.304 . . . . 0.0 111.093 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.5 mmt -92.43 -70.07 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.369 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.42 ' HZ2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -73.87 -21.27 60.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.393 -179.457 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.74 -56.45 19.02 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.686 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -151.18 -0.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.781 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.51 -106.5 0.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 113.121 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -169.75 179.37 3.73 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 62.4 -172.59 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.699 0.285 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.2 t 65.57 107.1 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.178 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.665 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 9.4 Cg_exo -73.26 -168.36 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.803 2.335 . . . . 0.0 112.366 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.0 t -158.13 162.37 37.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.38 107.94 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 m120 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.929 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.808 0.337 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.7 t -85.17 162.57 19.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -76.02 -64.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.2 p -100.84 156.52 17.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -112.46 173.13 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -76.45 -60.08 2.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 59.68 100.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -141.83 -1.49 1.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.791 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.95 136.09 57.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -141.41 131.91 25.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -127.1 -57.89 1.3 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.738 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -113.49 130.69 56.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -85.14 6.68 24.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.071 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.56 -50.17 9.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.08 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 61.24 106.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.301 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.6 p -137.78 92.95 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -168.7 152.25 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -95.15 172.14 8.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.838 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' NZ ' HH12 ' A' ' 33' ' ' ARG . 67.2 mttm 60.77 96.92 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.302 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HD3' ' HD3' ' A' ' 66' ' ' PRO . 63.6 Cg_endo -88.3 46.07 1.1 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.777 2.318 . . . . 0.0 111.922 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 62.4 90.28 0.09 OUTLIER Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.017 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.89 108.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.795 2.33 . . . . 0.0 112.734 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.449 ' SG ' HG22 ' A' ' 25' ' ' VAL . 2.2 p -61.11 -87.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.74 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.6 m -145.41 -37.79 0.27 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.634 0.254 . . . . 0.0 111.239 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.449 HG22 ' SG ' ' A' ' 23' ' ' CYS . 28.3 m -54.37 -31.12 22.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.399 . . . . 0.0 111.134 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -112.8 119.39 37.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.659 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.664 ' H ' ' HD2' ' A' ' 28' ' ' PRO . 88.1 tttt -161.13 -53.06 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.8 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.664 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 16.5 Cg_endo -58.26 -42.41 56.63 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.876 1.717 . . . . 0.0 112.263 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.21 -47.36 83.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.725 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -58.95 -44.99 91.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -55.97 -46.43 78.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.654 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.84 -40.5 93.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.872 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.4 HH12 ' NZ ' ' A' ' 19' ' ' LYS . 57.0 ttp180 -61.17 -50.68 72.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -59.67 -33.96 72.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.0 m -64.68 -50.63 66.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.668 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -54.68 -50.03 69.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.228 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.33 -41.12 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.609 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.65 -34.6 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.326 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.57 -75.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.982 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -153.17 12.11 0.48 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.068 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 43' ' ' ASP . . . -63.51 -12.42 46.1 Favored Glycine 0 CA--C 1.511 -0.181 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.994 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.91 4.44 0.64 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.516 0.198 . . . . 0.0 111.245 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 41' ' ' GLY . 27.8 t70 -167.09 -36.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.585 0.231 . . . . 0.0 111.436 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -49.12 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.43 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -104.15 8.0 36.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.145 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 13.1 mptt 59.75 11.73 2.61 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.189 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.1 p 50.29 20.53 0.66 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.674 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 62.2 mttp -92.97 -26.64 17.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.43 -46.67 82.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.84 -36.83 84.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.282 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.21 -46.52 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.33 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.67 -48.41 72.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.39 -36.27 71.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.154 0.502 . . . . 0.0 109.984 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -64.35 -59.82 3.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.314 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -55.43 -28.51 54.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.659 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.682 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 41.4 tt0 -73.06 -43.42 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.681 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.9 t -84.49 -9.67 58.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.829 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.533 ' HB3' ' HB3' ' A' ' 63' ' ' PHE . 25.4 mmt -100.58 -30.74 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.682 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 9.1 ptmt -61.63 -21.98 64.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.76 0.314 . . . . 0.0 111.04 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.64 60.77 4.78 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.685 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 56.32 17.83 3.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.68 0.276 . . . . 0.0 111.187 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.68 -25.93 28.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.533 ' HB3' ' HB3' ' A' ' 58' ' ' MET . 47.5 t80 -171.62 133.98 0.81 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.786 0.326 . . . . 0.0 110.8 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.52 141.87 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.2 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 67' ' ' SER . 58.9 t -138.62 132.76 16.51 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.572 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD3' ' HD3' ' A' ' 20' ' ' PRO . 25.8 Cg_exo -62.49 -36.16 67.15 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.398 2.065 . . . . 0.0 112.166 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.443 ' H ' HG12 ' A' ' 65' ' ' VAL . 36.5 t -61.45 148.44 41.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 59.62 -176.76 0.1 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.291 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.889 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.713 0.292 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.9 m -151.29 -34.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -104.52 -43.32 5.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.3 p -96.2 135.04 38.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.186 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -91.14 -21.67 21.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.707 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.4 tptt 58.4 95.2 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.123 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -148.08 137.02 21.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -122.06 -4.2 9.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.67 147.08 46.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 65.23 123.4 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.401 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -80.57 -178.49 6.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.982 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -99.28 -38.09 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 t60 62.27 109.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.19 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.28 126.05 5.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -121.03 162.25 20.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.0 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.8 m -111.21 12.45 21.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.8 150.71 32.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -123.86 177.01 5.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.759 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 64.91 125.58 0.02 OUTLIER Pre-proline 0 CA--C 1.53 0.181 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.484 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 94.1 Cg_endo -88.22 -64.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.508 2.139 . . . . 0.0 112.133 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 54.3 tptt -176.31 79.72 0.28 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.999 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -40.02 92.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.173 2.582 . . . . 0.0 113.417 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.409 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 5.1 m -162.73 177.69 9.13 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.245 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.7 m 62.63 17.35 9.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.697 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 p -168.0 -35.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.726 0.298 . . . . 0.0 111.35 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 23' ' ' CYS . 28.1 p -76.34 124.42 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.572 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 5.1 tmtp? -164.38 -55.04 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.829 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.565 ' HD2' ' H ' ' A' ' 27' ' ' LYS . 73.0 Cg_endo -76.25 -41.7 0.46 Allowed 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.018 1.812 . . . . 0.0 112.021 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.9 -50.04 73.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.187 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HE2' ' HA ' ' A' ' 27' ' ' LYS . 60.7 pttt -56.28 -34.53 66.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.966 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.7 -49.67 57.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.04 -46.56 89.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -60.94 -39.43 89.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.544 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.65 -45.85 90.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.1 m -59.99 -42.78 94.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.528 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.9 t -62.94 -34.55 77.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.259 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 41' ' ' GLY . 96.9 mt -73.78 -28.14 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.347 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -46.69 62.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.981 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -73.24 -51.16 18.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.848 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -74.32 -64.44 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.518 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.419 ' O ' HG23 ' A' ' 37' ' ' ILE . . . 159.12 172.83 26.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.574 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -71.11 -11.78 61.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.661 0.267 . . . . 0.0 111.162 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -167.92 119.04 0.83 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.018 0.437 . . . . 0.0 111.327 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -169.4 11.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.477 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 57.06 27.05 12.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -93.13 -34.13 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.184 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 p -95.07 12.92 26.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.99 -33.13 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -58.63 -40.75 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.032 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -65.11 -33.31 75.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.67 -52.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.64 -45.8 92.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.52 -37.2 77.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.614 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.484 ' O ' ' HG2' ' A' ' 58' ' ' MET . 80.4 t80 -60.98 -58.15 9.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.365 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 67.1 mttm -49.68 -56.06 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.462 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.511 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 12.7 pt-20 -60.57 -29.81 69.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.4 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.0 t -78.96 -17.66 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.743 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 54' ' ' TYR . 32.7 mmt -88.03 -66.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.356 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -59.33 -15.3 15.42 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.828 0.346 . . . . 0.0 111.164 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.46 53.98 4.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.157 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.2 t80 59.02 85.86 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.911 0.386 . . . . 0.0 110.732 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.89 -36.76 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -156.4 155.05 31.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.364 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 20' ' ' PRO . 11.7 pt-20 -68.01 132.44 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.233 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t -145.27 114.99 4.92 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.35 -57.76 1.8 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.422 2.081 . . . . 0.0 112.394 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m 57.52 22.16 7.81 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.99 101.67 13.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.954 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.94 -179.871 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_