data_1wg2_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 1wg2 _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 ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 25.5 mtt-85 -172.06 153.58 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 42.9 t -86.38 134.12 33.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 54.7 t80 -81.41 21.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -134.29 -41.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.4 p -119.24 -6.18 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 64.08 25.07 13.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -83.52 111.53 19.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 9.3 ptpt -40.81 114.51 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.486 HG23 ' CG2' ' A' ' 37' ' ' THR . 30.2 m -101.06 23.37 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 37.05 -139.04 0.43 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 m -104.3 23.74 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -128.86 28.78 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.48 178.87 52.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CD1' ' HA2' ' A' ' 40' ' ' GLY . 36.2 m-85 -111.06 102.8 11.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -82.84 129.85 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 33.1 t -88.79 159.9 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -54.59 -32.81 59.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.35 -35.06 79.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.62 33.2 1.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.9 m -117.03 150.61 38.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.486 ' CG2' HG23 ' A' ' 25' ' ' VAL . 7.1 m -102.5 136.11 42.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 50.4 m-85 -134.46 164.58 27.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.467 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 15.6 p -91.79 30.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' HA2' ' CD1' ' A' ' 30' ' ' PHE . . . 80.74 -37.58 2.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.539 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.7 m -79.98 -21.83 43.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.593 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.5 m170 -119.55 21.66 12.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.568 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.5 ptm180 -73.54 -15.34 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -75.78 147.31 80.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.709 0.766 . . . . 0.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -34.14 15.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HG3' ' NZ ' ' A' ' 47' ' ' LYS . 9.5 pt-20 -68.27 -20.45 64.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' NZ ' ' HG3' ' A' ' 46' ' ' GLU . 20.6 mmtm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.855 0.36 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 16.3 mtt180 -171.29 156.34 4.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 41.1 t -90.29 133.72 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.0 t80 -81.46 22.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -134.14 -40.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.8 p -123.43 -5.2 8.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.43 25.0 13.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -81.39 109.77 16.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 12.8 pttm -42.3 111.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG21 ' CG2' ' A' ' 37' ' ' THR . 17.2 m -95.6 19.32 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 38.48 -136.4 1.04 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.6 23.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 40.7 mtt -130.74 36.92 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.74 168.95 32.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.402 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 25.8 m-85 -105.09 100.44 10.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -81.39 124.58 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.6 t -85.68 160.05 19.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -56.28 -28.49 58.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.72 -37.16 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.18 29.59 2.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.0 m -118.25 153.05 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.882 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.494 ' CG2' HG21 ' A' ' 25' ' ' VAL . 8.5 m -103.69 137.41 41.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 38.7 m-85 -135.55 164.43 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.1 p -96.72 34.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.25 -44.02 2.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 m -72.31 -18.49 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 119.385 -0.34 . . . . 0.0 110.821 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.615 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 16.7 m170 -128.25 25.6 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HD2' ' CG ' ' A' ' 30' ' ' PHE . 6.0 ptm180 -78.36 -15.08 59.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -76.14 150.09 82.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.695 0.76 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.72 21.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.8 -16.99 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.487 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.809 0.337 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 15.3 mtt180 -172.66 153.09 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.427 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 48.8 t -85.83 134.73 33.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 55.5 t80 -81.56 22.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -134.77 -43.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.1 p -118.14 -6.01 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 64.21 24.98 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HE2' ' CB ' ' A' ' 39' ' ' CYS . 9.0 ttpt -82.99 111.91 19.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 9.6 ptpt -41.56 114.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 37' ' ' THR . 31.3 m -99.27 26.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.57 -141.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.1 m -102.37 27.86 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.8 mmt -134.92 32.21 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.02 178.08 52.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' CD2' ' HA2' ' A' ' 40' ' ' GLY . 37.0 m-85 -109.68 100.19 9.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -82.95 120.07 25.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.8 t -78.97 154.12 29.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -50.41 -31.3 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.9 p -63.36 -35.75 81.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.16 33.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.539 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 1.9 m -119.44 148.58 43.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.012 0.434 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.486 ' CG2' HG21 ' A' ' 25' ' ' VAL . 8.2 m -99.72 137.91 37.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 45.3 m-85 -138.11 163.57 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.466 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 15.0 p -93.09 34.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.421 ' HA2' ' CD2' ' A' ' 30' ' ' PHE . . . 78.67 -47.43 3.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -69.29 -24.96 64.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 119.334 -0.365 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 17.1 m170 -117.52 22.38 12.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -72.33 -16.84 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -76.25 149.02 81.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.695 0.76 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -34.35 14.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.31 -19.24 65.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 16.2 mtt180 -171.57 157.67 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.493 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 38.8 t -92.1 134.09 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.576 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 51.8 t80 -81.63 22.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 42' ' ' HIS . 1.8 m -133.62 -39.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -124.17 -5.13 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.02 24.97 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -80.99 109.13 15.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 48.3 pttt -42.24 109.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.498 HG21 ' CG2' ' A' ' 37' ' ' THR . 16.0 m -94.28 17.89 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.38 -137.39 1.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -98.9 26.37 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 45.9 mtt -132.92 39.21 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.87 167.89 28.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -103.85 100.37 10.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.386 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -80.0 121.17 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.13 156.19 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -30.4 28.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -63.27 -37.43 87.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.64 30.81 2.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 5.3 m -118.75 152.16 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.008 0.432 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.498 ' CG2' HG21 ' A' ' 25' ' ' VAL . 21.4 m -102.38 140.61 36.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 43.9 m-85 -139.2 164.85 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 10.3 p -98.68 37.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.05 -49.47 3.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -66.72 -23.37 66.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 119.35 -0.357 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.591 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 21.4 m80 -121.18 24.42 10.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.577 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -74.41 -18.95 60.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -75.2 148.29 83.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.68 0.752 . . . . 0.0 110.943 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.4 22.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -72.42 -19.2 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.479 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 1.1 p30 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 15.0 mtt180 -171.66 145.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t -77.9 136.45 38.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.4 t80 -83.86 23.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.42 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.14 -41.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 p -122.35 -4.19 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 m120 64.62 24.95 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -80.86 106.3 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -36.66 119.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG21 ' CG2' ' A' ' 37' ' ' THR . 27.6 m -106.15 28.09 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.39 -144.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -99.9 27.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 53.2 mmm -134.94 31.27 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.19 177.85 54.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -109.75 101.58 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -82.56 123.66 29.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 42.8 t -83.29 162.09 21.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 16.0 mtmm -56.71 -29.7 62.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.66 -36.21 83.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.99 31.48 2.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.8 m -117.1 150.15 39.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.891 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.494 ' CG2' HG21 ' A' ' 25' ' ' VAL . 11.4 m -99.07 137.21 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 37.9 m-85 -137.27 162.84 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.7 p -94.6 36.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.75 -47.42 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.0 m -68.93 -24.89 64.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 18.1 m170 -119.41 24.9 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.581 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -74.12 -17.45 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -75.36 149.26 84.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.74 12.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -66.27 -19.82 65.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 28.6 mtt-85 -170.57 157.06 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 41.0 t -89.92 133.8 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.576 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.0 t80 -81.75 22.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -134.93 -40.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.8 p -122.01 -5.73 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.05 25.02 13.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HE3' ' CB ' ' A' ' 39' ' ' CYS . 10.8 ttpp -82.93 110.91 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 6.5 ptmt -40.8 113.61 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.502 HG23 ' CG2' ' A' ' 37' ' ' THR . 27.5 m -100.56 23.2 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 36.18 -144.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.1 m -99.44 28.39 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mtm -133.79 27.01 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.79 177.04 53.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -108.68 102.38 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -83.75 127.39 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.05 161.1 19.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -58.22 -28.1 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.9 p -64.77 -36.47 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.4 31.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 m -120.09 151.66 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.502 ' CG2' HG23 ' A' ' 25' ' ' VAL . 7.1 m -102.81 137.19 41.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 47.3 m-85 -134.69 166.1 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.476 ' CB ' ' HE3' ' A' ' 23' ' ' LYS . 15.8 p -94.98 32.68 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.45 -41.87 2.34 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 m -75.53 -22.28 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 119.372 -0.347 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 17.5 m170 -120.95 22.78 10.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.445 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -75.12 -11.5 60.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -79.07 148.91 72.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.752 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -33.4 16.49 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.374 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.67 -18.03 63.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 1.6 p30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.838 0.352 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 34.8 mtt-85 -168.3 154.39 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -86.09 135.94 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 57.1 t80 -83.47 23.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.425 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.6 m -134.58 -43.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 p -121.61 -3.9 9.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 64.41 24.99 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -80.1 106.48 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 43.0 pttt -37.39 116.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG23 ' CG2' ' A' ' 37' ' ' THR . 22.5 m -103.6 24.31 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 32.57 -139.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 m -100.77 28.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 68.6 mmm -134.58 33.64 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.82 172.22 36.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -104.91 109.27 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -89.4 123.76 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 35.8 t -85.44 161.2 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 70.1 mttt -56.32 -27.61 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.5 p -66.24 -33.5 75.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.69 23.8 5.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.8 m -110.05 151.66 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.968 0.413 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.49 ' CG2' HG23 ' A' ' 25' ' ' VAL . 8.7 m -103.57 137.63 41.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 37.3 m-85 -134.4 164.54 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.46 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 20.9 p -96.17 35.13 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.13 -48.77 3.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -67.86 -24.41 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.834 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.551 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.4 m170 -119.57 22.28 11.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -70.28 -19.8 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -74.17 152.71 88.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.701 0.762 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -44.93 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.613 2.208 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -59.38 -24.09 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.492 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 24.3 mtt180 -167.33 160.72 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.8 t -90.74 134.12 34.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 55.1 t80 -82.2 22.76 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -134.64 -43.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 p -117.66 -5.86 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 m120 64.35 25.09 13.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -83.24 112.71 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 42.7 pttt -42.2 113.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 37' ' ' THR . 31.1 m -99.97 23.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.79 -139.83 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -101.5 26.93 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -132.13 30.72 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.22 173.52 46.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -107.6 103.31 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -86.35 122.84 30.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.4 t -83.79 156.62 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -52.15 -28.51 18.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.5 p -63.39 -34.79 78.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 29.05 3.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.5 m -117.72 148.76 41.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.401 . . . . 0.0 110.885 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.5 ' CG2' HG21 ' A' ' 25' ' ' VAL . 12.1 m -100.25 139.56 35.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 47.0 m-85 -136.67 165.57 25.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 19.7 p -95.31 33.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.1 -49.81 3.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.8 m -66.89 -26.08 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -115.81 20.0 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -67.96 -20.74 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -71.63 152.55 93.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.64 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.13 -23.34 63.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.4 p30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 27.1 mtt180 -168.22 161.89 12.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.2 t -93.1 133.49 36.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 45.8 t80 -81.99 23.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -134.64 -40.69 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.6 p -122.59 -5.05 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m120 64.76 25.0 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -81.39 111.66 17.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 14.1 ptmt -43.92 111.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.482 HG21 ' CG2' ' A' ' 37' ' ' THR . 16.8 m -96.23 19.34 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 36.15 -133.62 0.72 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.52 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 m -99.71 21.06 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.0 39.95 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.44 161.92 26.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -104.58 97.96 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -78.72 121.37 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 t -82.57 157.22 23.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -51.22 -28.42 11.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.7 p -65.45 -33.5 76.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.12 26.17 4.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 m -113.77 149.18 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.898 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.482 ' CG2' HG21 ' A' ' 25' ' ' VAL . 21.1 m -99.05 138.79 35.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 48.8 m-85 -138.42 166.08 25.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.41 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 11.1 p -98.48 37.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.89 -50.96 3.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 m -64.99 -23.81 67.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.557 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.1 m170 -122.08 25.37 9.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -75.0 -19.98 59.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -72.27 148.68 91.27 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.664 0.745 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -32.6 18.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.15 -21.02 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 6.4 mtm105 -172.49 152.08 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 20' ' ' SER . 35.7 t -89.24 130.88 35.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.436 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -79.55 20.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.9 OUTLIER -133.02 -33.77 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 4.5 p -128.85 -4.14 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 60.85 25.0 14.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -82.57 107.01 14.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 39.6 pttt -40.8 110.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.526 HG21 ' CG2' ' A' ' 37' ' ' THR . 19.4 m -95.6 22.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.6 -137.49 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.1 26.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.6 mmt -134.85 39.15 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.66 171.77 35.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -105.9 99.46 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -79.12 120.37 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -81.22 158.84 24.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -53.28 -32.05 46.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -62.52 -37.09 84.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.61 26.79 3.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -111.31 157.8 19.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.814 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.526 ' CG2' HG21 ' A' ' 25' ' ' VAL . 9.0 m -107.65 133.92 51.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 51.5 m-85 -134.92 163.97 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 7.8 p -94.34 37.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.81 -49.71 2.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -65.36 -27.57 68.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.81 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.465 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 16.7 m80 -118.18 24.95 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -74.21 -19.92 60.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -70.59 147.38 94.64 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.714 0.769 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.21 26.81 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.225 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.64 -21.47 59.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.809 0.338 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 24.2 mtt180 -166.9 157.65 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.3 t -87.12 134.13 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.54 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 53.2 t80 -83.16 22.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -134.42 -39.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 p -121.48 -5.5 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.07 24.97 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HE2' ' CB ' ' A' ' 39' ' ' CYS . 9.8 ttpt -83.44 111.37 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 15.6 pttm -40.03 115.67 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.484 HG21 ' CG2' ' A' ' 37' ' ' THR . 33.8 m -103.26 24.3 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.77 -144.14 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -100.11 28.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.3 mmm -134.13 27.72 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.04 179.34 52.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 38.2 m-85 -111.15 103.6 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -88.35 121.12 30.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 44.3 t -77.83 162.35 26.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -59.67 -25.53 64.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 p -66.55 -35.96 81.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.05 33.4 1.52 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 2.6 m -122.76 146.15 47.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.935 0.398 . . . . 0.0 110.869 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.484 ' CG2' HG21 ' A' ' 25' ' ' VAL . 18.4 m -98.16 139.5 33.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 48.0 m-85 -137.2 167.07 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 14.8 p -95.96 32.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.97 -42.61 2.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -74.51 -20.82 59.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.575 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 15.8 m170 -123.27 23.42 9.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HD2' ' CG ' ' A' ' 30' ' ' PHE . 5.9 ptm180 -76.19 -13.94 60.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -75.59 150.57 84.53 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.681 0.753 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -35.18 12.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.07 -18.39 64.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.776 0.322 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 8.6 mtm180 -169.56 153.43 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.487 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 38.6 t -86.96 132.59 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 50.9 t80 -82.22 24.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.465 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.6 m -134.39 -37.98 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 p -125.72 -13.34 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 t30 74.78 25.01 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -81.68 108.54 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 23.3 pttm -41.73 111.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.52 HG23 ' CG2' ' A' ' 37' ' ' THR . 16.8 m -96.81 22.32 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.54 -142.77 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -94.22 27.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.5 mtm -134.97 37.89 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.38 167.66 35.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -109.05 97.96 7.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -80.28 121.49 25.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.4 t -83.11 163.56 20.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -55.25 -33.71 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.7 p -58.8 -25.35 63.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.56 32.43 5.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 17.9 m -122.91 148.68 45.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.983 0.421 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.52 ' CG2' HG23 ' A' ' 25' ' ' VAL . 42.5 m -94.84 140.93 29.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 52.1 m-85 -139.98 165.82 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.43 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.7 p -98.78 36.9 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.02 -48.43 3.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.8 m -67.67 -19.96 65.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 119.358 -0.353 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.587 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.4 m170 -125.04 24.61 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 ptt85 -77.48 -14.38 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -75.9 145.57 77.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.744 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -22.88 31.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.268 . . . . 0.0 112.355 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -78.68 -23.04 45.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 1.1 p30 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 2.5 mtt85 -169.77 151.14 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.431 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 43.4 t -83.02 134.43 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 53.8 t80 -82.77 24.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.424 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.8 m -134.35 -43.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 p -120.46 -9.91 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t30 71.54 24.98 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -81.2 106.52 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 3.9 ptmm? -37.14 117.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG22 ' CG2' ' A' ' 37' ' ' THR . 30.7 m -104.12 25.26 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 32.92 -141.4 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.7 m -100.42 29.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.3 mtm -135.0 31.28 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.98 172.43 47.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 24.9 m-85 -104.21 99.71 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -81.27 123.38 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.8 t -85.89 158.52 19.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -54.35 -32.73 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.5 p -60.22 -38.11 82.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.8 29.63 2.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.0 m -117.51 150.67 38.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.495 ' CG2' HG22 ' A' ' 25' ' ' VAL . 8.8 m -102.36 137.22 40.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 31.3 m-85 -135.31 164.21 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.445 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 23.1 p -94.2 33.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.74 -42.03 2.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.3 m -75.1 -20.74 59.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 119.328 -0.367 . . . . 0.0 110.832 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.607 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 15.3 m170 -124.33 25.23 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.573 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.518 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -76.98 -16.23 59.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -74.62 150.38 86.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.705 0.764 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.77 -20.11 63.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 8.3 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 33.0 mtt-85 -169.26 163.12 10.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.7 t -94.8 134.46 37.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 56.8 t80 -82.22 23.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.44 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.14 -41.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.8 p -121.79 -4.79 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 64.52 25.05 13.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -81.35 112.68 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 18.3 ptmt -44.74 110.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.492 HG23 ' CG2' ' A' ' 37' ' ' THR . 16.1 m -95.76 20.24 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 37.14 -119.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 m -106.51 -7.97 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.65 39.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.07 151.26 20.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -95.73 110.06 22.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -91.29 117.55 29.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.4 t -78.78 159.13 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -32.35 48.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -61.72 -37.88 85.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.06 30.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.7 m -116.6 148.71 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.951 0.405 . . . . 0.0 110.853 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.492 ' CG2' HG23 ' A' ' 25' ' ' VAL . 9.6 m -100.72 138.5 37.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 35.6 m-85 -136.44 166.44 23.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.8 p -99.01 36.22 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.3 -50.08 3.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.1 m -66.39 -22.44 66.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.546 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.5 m170 -122.72 24.12 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.608 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -72.43 -20.48 61.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -73.92 152.57 88.85 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.667 0.746 . . . . 0.0 110.929 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -44.09 2.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.378 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -61.93 -21.19 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.49 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.5 p30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 15.4 mtt180 -168.25 160.67 11.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 38.3 t -91.32 132.78 35.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 44.3 t80 -82.3 23.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.465 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -133.23 -41.07 0.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.67 -12.69 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 74.2 25.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -82.31 112.87 19.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 23.3 pttm -45.26 111.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.499 HG21 ' CG2' ' A' ' 37' ' ' THR . 17.6 m -96.21 18.78 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.06 -135.43 1.37 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.34 27.21 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 mmt -134.68 38.96 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.2 172.58 32.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -107.06 100.97 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -82.99 118.46 23.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.5 t -78.65 156.5 29.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -53.98 -28.0 34.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.96 -36.59 84.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.19 31.58 1.84 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 m -121.14 150.87 40.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.499 ' CG2' HG21 ' A' ' 25' ' ' VAL . 16.4 m -101.7 139.04 37.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 47.4 m-85 -137.05 164.59 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.426 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.3 p -98.52 40.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.64 -50.67 2.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.7 m -65.88 -22.68 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.522 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 23.3 m170 -122.0 24.11 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -73.44 -20.81 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -73.8 152.39 89.06 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.704 0.764 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -44.45 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.95 -23.25 65.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 9.9 mtt85 -170.82 154.7 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 38.0 t -87.56 133.15 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.576 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 50.4 t80 -81.64 23.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.41 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.58 -39.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.48 -5.13 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.62 25.05 13.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -81.87 109.88 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 5.8 ptpp? -42.68 113.97 0.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.505 HG23 ' CG2' ' A' ' 37' ' ' THR . 15.7 m -96.81 22.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.62 -129.58 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.3 m -102.99 24.53 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -131.53 44.44 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.25 159.26 21.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -102.21 99.72 9.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -81.08 119.72 23.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.9 t -82.42 159.83 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -53.93 -27.81 33.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.8 p -64.24 -37.01 85.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.2 26.12 3.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.547 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 m -115.0 151.98 33.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.864 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.505 ' CG2' HG23 ' A' ' 25' ' ' VAL . 22.3 m -102.63 138.68 39.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 45.4 m-85 -136.36 164.79 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.0 p -96.78 35.23 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.6 -50.87 4.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -65.97 -23.84 66.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.59 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 m170 -121.26 25.12 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -75.92 -18.8 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -74.31 148.84 86.45 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.702 0.763 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -33.45 16.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.35 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.76 -18.8 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 2.0 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 33.7 mtt-85 -166.11 163.41 18.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.9 t -92.89 134.68 34.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 51.9 t80 -83.08 23.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -135.0 -42.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 p -120.46 -4.63 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 63.83 25.04 13.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.38 110.17 16.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 13.6 pttp -41.76 112.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG23 ' CG2' ' A' ' 37' ' ' THR . 19.1 m -98.0 21.91 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.08 -139.16 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 m -97.5 23.63 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.95 34.33 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.87 167.66 35.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -106.6 103.07 12.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -82.27 123.96 29.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.7 t -83.24 157.31 22.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -52.17 -33.17 39.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -61.71 -36.84 82.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.03 29.11 2.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 2.7 m -116.1 149.45 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.954 0.407 . . . . 0.0 110.836 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.495 ' CG2' HG23 ' A' ' 25' ' ' VAL . 24.3 m -99.81 141.05 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 44.3 m-85 -139.94 166.2 25.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.467 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 12.4 p -96.67 34.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.78 -42.37 2.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.0 m -73.37 -22.24 60.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.588 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.9 m80 -123.87 23.41 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.594 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 5.9 ptm180 -75.39 -18.54 59.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -74.22 152.37 88.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.943 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -44.83 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -62.87 -19.39 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.501 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 18.7 mtm180 -169.4 151.57 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.415 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 38.5 t -87.4 131.27 34.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 46.7 t80 -80.77 24.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 18' ' ' CYS . 1.7 m -134.19 -38.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.3 p -125.89 -13.01 6.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t30 74.86 25.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.81 109.02 15.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 7.2 ptmm? -41.32 111.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.496 HG21 ' CG2' ' A' ' 37' ' ' THR . 25.5 m -96.52 22.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.38 -135.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -100.98 24.95 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.7 mmm -131.57 38.21 3.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.36 168.06 29.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.452 ' CE1' ' CZ ' ' A' ' 43' ' ' ARG . 27.2 m-85 -106.48 99.73 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -79.7 131.67 36.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.76 161.71 14.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -55.87 -30.31 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.96 -35.02 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.39 28.14 3.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -114.05 151.69 32.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.496 ' CG2' HG21 ' A' ' 25' ' ' VAL . 10.1 m -103.79 135.42 45.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 47.9 m-85 -133.27 165.47 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.437 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.4 p -96.78 35.49 1.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.39 -48.36 2.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 m -68.48 -19.88 64.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 119.391 -0.338 . . . . 0.0 110.886 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.608 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 12.2 m170 -125.52 25.53 7.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CZ ' ' CE1' ' A' ' 30' ' ' PHE . 6.2 ptm180 -79.25 -11.09 59.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -77.83 147.99 75.06 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.672 0.749 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -28.47 25.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -75.46 -20.15 59.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 24.8 mtt180 -163.88 163.44 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.471 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 35.3 t -90.13 133.26 34.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.566 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 54.5 t80 -83.21 24.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.472 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.7 -44.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 p -116.8 -13.6 10.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 t30 75.01 24.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -83.04 112.47 19.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 11.8 ptpt -43.77 114.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' CG2' ' A' ' 37' ' ' THR . 19.9 m -99.13 21.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 31.74 -138.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -96.64 27.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 29.6 mtm -134.97 40.25 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.73 165.56 23.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -104.39 100.51 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -83.19 123.73 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 t -84.4 157.18 21.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -53.7 -31.6 48.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -58.15 -37.85 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.61 27.92 2.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m -121.17 149.55 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.513 ' CG2' HG23 ' A' ' 25' ' ' VAL . 58.5 m -100.71 142.93 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 43.4 m-85 -138.28 166.35 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.8 p -97.54 33.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.02 -40.79 2.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -76.48 -16.37 59.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.329 -0.367 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 14.9 m170 -130.33 23.13 5.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.57 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 5.9 ptm180 -72.37 -26.62 61.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -63.53 152.48 85.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.955 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -33.27 16.73 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.321 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.34 -21.29 59.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 23.8 mtt180 -164.13 163.2 23.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 49.2 t -89.87 133.7 34.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.524 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 49.5 t80 -83.39 23.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -134.0 -43.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 p -117.12 -12.94 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 73.96 24.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -84.2 113.64 21.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 12.4 ptpt -41.84 116.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.464 HG23 ' CG2' ' A' ' 37' ' ' THR . 27.9 m -102.41 24.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.34 -142.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.9 m -99.57 29.14 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 47.5 mtm -134.66 30.47 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.08 176.36 53.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -111.83 103.3 11.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.955 0.407 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -82.94 118.32 23.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -77.92 155.01 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -49.28 -31.29 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -64.1 -35.15 79.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.03 32.67 2.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 m -118.29 146.72 44.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.464 ' CG2' HG23 ' A' ' 25' ' ' VAL . 11.2 m -95.06 136.38 35.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 36' ' ' SER . 55.8 m-85 -136.5 164.75 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.417 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 20.2 p -93.23 33.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.2 -46.59 3.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -70.56 -23.87 62.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 119.405 -0.331 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.517 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 21.6 m170 -117.52 21.42 13.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -71.38 -16.91 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.67 147.8 84.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.696 0.76 . . . . 0.0 110.922 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -33.44 16.82 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.87 -20.33 64.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -94.19 117.03 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -64.08 -54.04 40.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.94 128.97 5.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -137.47 133.13 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -70.5 -64.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.83 104.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -1.78 9.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -111.63 142.14 44.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -82.71 155.71 68.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.563 0.697 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.83 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.248 . . . . 0.0 112.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.21 44.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.9 mmt-85 -73.96 154.3 88.83 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.459 ' HB2' ' ND2' ' A' ' 16' ' ' ASN . 53.6 Cg_endo -69.76 -176.1 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -117.76 19.94 13.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -90.06 85.75 6.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 25.5 mtt-85 -172.06 153.58 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.9 t -86.38 134.12 33.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 54.7 t80 -81.41 21.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -134.29 -41.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.4 p -119.24 -6.18 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 64.08 25.07 13.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -83.52 111.53 19.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 9.3 ptpt -40.81 114.51 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.486 HG23 ' CG2' ' A' ' 37' ' ' THR . 30.2 m -101.06 23.37 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 37.05 -139.04 0.43 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 m -104.3 23.74 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -128.86 28.78 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.48 178.87 52.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CD1' ' HA2' ' A' ' 40' ' ' GLY . 36.2 m-85 -111.06 102.8 11.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -82.84 129.85 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 33.1 t -88.79 159.9 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -54.59 -32.81 59.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.35 -35.06 79.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.62 33.2 1.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.9 m -117.03 150.61 38.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.486 ' CG2' HG23 ' A' ' 25' ' ' VAL . 7.1 m -102.5 136.11 42.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 50.4 m-85 -134.46 164.58 27.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.467 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 15.6 p -91.79 30.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' HA2' ' CD1' ' A' ' 30' ' ' PHE . . . 80.74 -37.58 2.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.539 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.7 m -79.98 -21.83 43.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.593 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.5 m170 -119.55 21.66 12.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.568 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.5 ptm180 -73.54 -15.34 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 41.4 m-85 -75.78 147.31 80.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.709 0.766 . . . . 0.0 110.937 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -34.14 15.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HG3' ' NZ ' ' A' ' 47' ' ' LYS . 9.5 pt-20 -68.27 -20.45 64.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' NZ ' ' HG3' ' A' ' 46' ' ' GLU . 20.6 mmtm -98.37 17.85 17.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.622 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.0 p-80 -172.25 124.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.53 91.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' HIS . 7.5 t -103.83 96.36 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' PHE . 21.6 m -59.1 -37.3 76.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.1 t80 -36.92 138.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.18 86.04 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' LYS . 90.8 m-85 -66.47 -48.34 70.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' PHE . 43.0 mttt -34.7 141.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -52.28 170.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 58' ' ' GLY . 10.2 p -45.72 144.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.406 ' N ' HG22 ' A' ' 57' ' ' VAL . . . -164.56 -63.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.6 m -55.36 170.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.88 -78.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.15 19.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t -63.64 137.95 58.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -149.96 144.46 25.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.496 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -154.92 132.85 11.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.892 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -107.25 112.38 25.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.98 70.77 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.559 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -168.92 128.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -155.97 133.17 10.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.81 163.63 34.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 122.16 8.84 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -123.24 90.56 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -48.03 151.68 1.64 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.613 0.721 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -166.84 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -84.23 33.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 15.0 mmt180 -65.56 -60.03 8.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.7 Cg_endo -69.73 136.16 32.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.646 2.231 . . . . 0.0 112.366 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -132.48 25.22 4.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -94.06 85.37 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 16.3 mtt180 -171.29 156.34 4.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.1 t -90.29 133.72 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.0 t80 -81.46 22.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -134.14 -40.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.8 p -123.43 -5.2 8.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.43 25.0 13.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -81.39 109.77 16.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 12.8 pttm -42.3 111.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG21 ' CG2' ' A' ' 37' ' ' THR . 17.2 m -95.6 19.32 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 38.48 -136.4 1.04 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.6 23.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 40.7 mtt -130.74 36.92 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.74 168.95 32.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.402 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 25.8 m-85 -105.09 100.44 10.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -81.39 124.58 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.6 t -85.68 160.05 19.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 89.1 mttt -56.28 -28.49 58.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.72 -37.16 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.18 29.59 2.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.0 m -118.25 153.05 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.882 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.494 ' CG2' HG21 ' A' ' 25' ' ' VAL . 8.5 m -103.69 137.41 41.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 38.7 m-85 -135.55 164.43 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.1 p -96.72 34.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.25 -44.02 2.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 m -72.31 -18.49 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 119.385 -0.34 . . . . 0.0 110.821 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.615 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 16.7 m170 -128.25 25.6 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HD2' ' CG ' ' A' ' 30' ' ' PHE . 6.0 ptm180 -78.36 -15.08 59.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.471 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 44.6 m-85 -76.14 150.09 82.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.695 0.76 . . . . 0.0 110.939 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.72 21.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.8 -16.99 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -101.8 19.42 18.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.52 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 5.8 p-80 -172.83 134.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.595 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.99 88.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 48' ' ' HIS . 5.3 t -101.52 98.21 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -92.17 35.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 5.5 t80 -96.3 109.75 22.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.62 89.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 52' ' ' PHE . 60.1 m-85 -81.76 -51.73 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -84.35 140.86 31.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -78.94 130.61 35.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -41.35 99.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.65 -122.05 0.6 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 m -42.15 105.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.84 -162.69 28.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.69 28.56 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.731 2.288 . . . . 0.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.0 m -155.3 161.76 41.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.4 m -113.52 154.87 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.505 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -67.54 89.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -121.18 139.17 53.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.6 -169.61 26.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -82.14 46.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -84.05 -45.29 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.98 108.65 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -37.96 8.5 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.658 2.238 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -156.96 160.67 39.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -119.61 140.55 29.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -163.42 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.379 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -76.83 46.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -62.17 151.34 81.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 17' ' ' ARG . 16.3 m120 -89.37 -26.56 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.487 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -53.82 86.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 15.3 mtt180 -172.66 153.09 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.8 t -85.83 134.73 33.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 55.5 t80 -81.56 22.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -134.77 -43.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.1 p -118.14 -6.01 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 64.21 24.98 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HE2' ' CB ' ' A' ' 39' ' ' CYS . 9.0 ttpt -82.99 111.91 19.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 9.6 ptpt -41.56 114.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 37' ' ' THR . 31.3 m -99.27 26.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.57 -141.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.1 m -102.37 27.86 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.8 mmt -134.92 32.21 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.02 178.08 52.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' CD2' ' HA2' ' A' ' 40' ' ' GLY . 37.0 m-85 -109.68 100.19 9.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -82.95 120.07 25.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.8 t -78.97 154.12 29.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -50.41 -31.3 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.9 p -63.36 -35.75 81.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.16 33.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.539 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 1.9 m -119.44 148.58 43.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.012 0.434 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.486 ' CG2' HG21 ' A' ' 25' ' ' VAL . 8.2 m -99.72 137.91 37.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.637 ' CZ ' ' ND1' ' A' ' 48' ' ' HIS . 45.3 m-85 -138.11 163.57 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 15.0 p -93.09 34.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' HA2' ' CD2' ' A' ' 30' ' ' PHE . . . 78.67 -47.43 3.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -69.29 -24.96 64.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 119.334 -0.365 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 17.1 m170 -117.52 22.38 12.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -72.33 -16.84 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -76.25 149.02 81.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.695 0.76 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -34.35 14.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.31 -19.24 65.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.36 18.57 18.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.637 ' ND1' ' CZ ' ' A' ' 38' ' ' PHE . 3.7 p-80 -171.6 126.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.594 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -45.41 89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 48' ' ' HIS . 13.4 t -98.06 106.44 18.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.2 p -86.59 33.46 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -103.53 146.74 28.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.34 82.87 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -56.62 -42.11 78.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -54.0 108.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -50.01 133.8 22.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.43 147.8 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.01 -158.36 27.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -96.41 123.28 40.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.07 -98.03 0.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.76 52.19 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.732 2.288 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.5 p -134.76 148.48 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 m -108.04 147.28 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.474 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -137.24 162.41 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -102.49 -55.57 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.43 137.03 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -76.7 102.69 6.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.896 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -160.03 122.51 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.55 69.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -6.85 19.56 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.246 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -80.74 147.7 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -40.9 150.5 0.29 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.636 0.731 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -163.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 m -82.18 39.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -69.66 -60.01 4.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.9 Cg_endo -69.74 146.74 61.27 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.258 . . . . 0.0 112.399 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -111.92 22.23 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -91.12 85.97 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 16.2 mtt180 -171.57 157.67 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.8 t -92.1 134.09 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.576 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 51.8 t80 -81.63 22.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 42' ' ' HIS . 1.8 m -133.62 -39.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -124.17 -5.13 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.02 24.97 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -80.99 109.13 15.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 48.3 pttt -42.24 109.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.498 HG21 ' CG2' ' A' ' 37' ' ' THR . 16.0 m -94.28 17.89 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.38 -137.39 1.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -98.9 26.37 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 45.9 mtt -132.92 39.21 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.87 167.89 28.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -103.85 100.37 10.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.386 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -80.0 121.17 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.13 156.19 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -52.39 -30.4 28.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -63.27 -37.43 87.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.64 30.81 2.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 5.3 m -118.75 152.16 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.008 0.432 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.498 ' CG2' HG21 ' A' ' 25' ' ' VAL . 21.4 m -102.38 140.61 36.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.658 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 43.9 m-85 -139.2 164.85 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 10.3 p -98.68 37.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.05 -49.47 3.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -66.72 -23.37 66.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 119.35 -0.357 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.591 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 21.4 m80 -121.18 24.42 10.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.577 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -74.41 -18.95 60.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 32.3 m-85 -75.2 148.29 83.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.68 0.752 . . . . 0.0 110.943 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 -30.4 22.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -72.42 -19.2 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -100.24 20.56 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.658 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.0 p-80 -172.28 134.09 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.545 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.6 mp0 -49.06 87.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' HIS . 8.9 t -98.37 107.89 20.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 p -93.2 33.58 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 27.9 t80 -92.27 150.63 20.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 8.2 p-10 -104.22 68.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 52' ' ' PHE . 69.5 m-85 -59.46 -41.49 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -105.82 113.86 27.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -79.72 90.89 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -93.18 95.35 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.13 58.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.7 t -85.48 -44.08 13.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.942 0.401 . . . . 0.0 110.921 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -179.03 17.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 102.53 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.5 m -130.78 123.32 28.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.6 t -83.26 84.24 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.513 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -162.79 163.36 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.824 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -158.76 134.74 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.98 122.77 1.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -149.69 133.76 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 p -153.24 166.41 32.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.17 75.36 1.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 92.75 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 m -104.85 152.4 22.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -132.34 133.53 23.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -166.23 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.308 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.5 m -84.17 34.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 4.3 mmt85 -70.02 -59.94 3.96 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.7 Cg_endo -69.77 123.26 9.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -114.79 -26.88 7.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.479 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 1.1 p30 -54.37 84.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 15.0 mtt180 -171.66 145.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t -77.9 136.45 38.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.4 t80 -83.86 23.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.42 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.14 -41.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 p -122.35 -4.19 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 m120 64.62 24.95 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -80.86 106.3 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -36.66 119.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG21 ' CG2' ' A' ' 37' ' ' THR . 27.6 m -106.15 28.09 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.39 -144.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -99.9 27.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 53.2 mmm -134.94 31.27 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.19 177.85 54.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -109.75 101.58 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -82.56 123.66 29.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 42.8 t -83.29 162.09 21.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 16.0 mtmm -56.71 -29.7 62.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.66 -36.21 83.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.99 31.48 2.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.8 m -117.1 150.15 39.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.891 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.494 ' CG2' HG21 ' A' ' 25' ' ' VAL . 11.4 m -99.07 137.21 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.705 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 37.9 m-85 -137.27 162.84 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.7 p -94.6 36.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.75 -47.42 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.0 m -68.93 -24.89 64.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 18.1 m170 -119.41 24.9 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.581 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -74.12 -17.45 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -75.36 149.26 84.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.74 12.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -66.27 -19.82 65.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -99.44 20.94 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.705 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 3.1 p-80 -174.02 125.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.634 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -42.89 91.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' HIS . 10.4 t -102.1 106.86 17.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.6 m -95.1 36.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 4.7 t80 -98.06 133.01 43.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.77 86.17 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -67.0 -47.72 70.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -60.82 172.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -142.94 118.29 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t -142.38 133.63 25.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.73 101.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.54 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -148.13 167.82 24.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.399 . . . . 0.0 110.846 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.93 -127.78 5.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 122.24 8.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 m -53.94 157.34 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.2 t -96.57 151.56 19.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.518 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -126.79 122.87 36.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -87.85 141.35 28.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.96 -163.6 54.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 p -113.95 -46.43 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m 58.19 40.85 24.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.92 -166.02 12.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 9' ' ' SER . 53.9 Cg_endo -69.71 107.55 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.39 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' PRO . 52.5 p -34.36 -53.0 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.834 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 9.1 tpp180 -105.77 140.19 20.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.718 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.485 ' HD2' ' CD ' ' A' ' 10' ' ' ARG . 53.8 Cg_endo -69.77 -163.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 m -85.75 38.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 12.6 mmt180 -69.92 -60.12 3.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.7 Cg_endo -69.8 119.53 6.46 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -131.27 26.52 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -95.05 84.62 4.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 28.6 mtt-85 -170.57 157.06 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -89.92 133.8 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.576 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.0 t80 -81.75 22.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -134.93 -40.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.8 p -122.01 -5.73 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.05 25.02 13.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HE3' ' CB ' ' A' ' 39' ' ' CYS . 10.8 ttpp -82.93 110.91 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 6.5 ptmt -40.8 113.61 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.502 HG23 ' CG2' ' A' ' 37' ' ' THR . 27.5 m -100.56 23.2 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 36.18 -144.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.1 m -99.44 28.39 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mtm -133.79 27.01 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.79 177.04 53.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -108.68 102.38 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -83.75 127.39 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.05 161.1 19.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 22.4 mttm -58.22 -28.1 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.9 p -64.77 -36.47 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.4 31.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 m -120.09 151.66 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.502 ' CG2' HG23 ' A' ' 25' ' ' VAL . 7.1 m -102.81 137.19 41.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 47.3 m-85 -134.69 166.1 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.476 ' CB ' ' HE3' ' A' ' 23' ' ' LYS . 15.8 p -94.98 32.68 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.45 -41.87 2.34 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 m -75.53 -22.28 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 119.372 -0.347 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 17.5 m170 -120.95 22.78 10.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -75.12 -11.5 60.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.409 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 53.6 m-85 -79.07 148.91 72.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.752 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.81 -33.4 16.49 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.374 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.67 -18.03 63.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -100.62 16.13 25.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.615 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.0 p-80 -169.84 128.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.612 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -46.03 89.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' HIS . 11.2 t -98.67 112.18 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -91.61 33.98 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 6.1 t80 -104.39 147.71 27.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -119.27 80.08 1.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' LYS . 29.0 m-85 -54.59 -39.42 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' PHE . 14.8 ptmt -34.54 -42.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -78.08 79.69 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.452 HG11 ' N ' ' A' ' 58' ' ' GLY . 94.7 t -84.83 140.52 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.452 ' N ' HG11 ' A' ' 57' ' ' VAL . . . 162.76 80.56 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.443 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 60' ' ' GLY . 4.7 t -127.04 -45.33 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 59' ' ' SER . . . -34.43 144.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.59 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.6 m -116.02 -51.26 2.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.9 m 60.83 42.55 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.514 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p 43.26 42.29 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -122.11 -61.55 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.72 166.26 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -164.58 132.99 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -154.17 163.13 40.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.77 102.96 2.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 91.46 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.0 p -58.94 -48.62 80.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 25.2 mtm105 -65.41 153.66 89.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -167.05 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.0 m -77.1 49.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 24.1 mmt180 -117.21 63.94 3.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 5.01 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -84.93 27.36 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 13' ' ' ARG . 1.6 p30 -96.6 82.67 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 34.8 mtt-85 -168.3 154.39 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -86.09 135.94 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 57.1 t80 -83.47 23.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.425 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.6 m -134.58 -43.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 p -121.61 -3.9 9.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 64.41 24.99 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -80.1 106.48 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 43.0 pttt -37.39 116.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG23 ' CG2' ' A' ' 37' ' ' THR . 22.5 m -103.6 24.31 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 32.57 -139.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 m -100.77 28.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 68.6 mmm -134.58 33.64 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.82 172.22 36.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -104.91 109.27 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -89.4 123.76 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 35.8 t -85.44 161.2 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 70.1 mttt -56.32 -27.61 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.5 p -66.24 -33.5 75.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.69 23.8 5.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.8 m -110.05 151.66 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.968 0.413 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.49 ' CG2' HG23 ' A' ' 25' ' ' VAL . 8.7 m -103.57 137.63 41.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.717 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 37.3 m-85 -134.4 164.54 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.46 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 20.9 p -96.17 35.13 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.13 -48.77 3.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -67.86 -24.41 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.834 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.551 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.4 m170 -119.57 22.28 11.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -70.28 -19.8 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -74.17 152.71 88.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.701 0.762 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.453 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.82 -44.93 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.613 2.208 . . . . 0.0 112.373 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -59.38 -24.09 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -72.61 -36.15 68.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.717 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 46.1 p-80 -117.8 33.21 5.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.547 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' HIS . 64.2 mt-10 33.46 48.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.443 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 14.5 t -50.1 144.3 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 52' ' ' PHE . 44.3 p -92.25 -36.6 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.5 t80 -37.34 104.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.11 91.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 56' ' ' GLU . 52.2 m-85 -66.03 -45.64 80.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 32.89 34.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' PHE . 8.7 pt-20 -46.31 109.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.8 t -129.9 113.74 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.39 -54.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 t -143.8 154.36 43.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.95 -176.4 45.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 124.54 11.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 t -68.29 88.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -132.13 143.52 50.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.483 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m 54.39 42.26 31.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 p -115.35 100.0 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.47 104.68 2.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 p -165.41 154.58 12.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -62.35 -59.87 4.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.93 93.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 131.67 21.67 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.302 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.5 t -81.54 -46.6 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.5 148.61 40.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -173.55 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.248 . . . . 0.0 112.38 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m -78.65 52.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.7 mmt-85 -105.4 97.85 15.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -178.96 2.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -126.45 27.26 6.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.492 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -96.65 81.63 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 24.3 mtt180 -167.33 160.72 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.8 t -90.74 134.12 34.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 55.1 t80 -82.2 22.76 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -134.64 -43.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 p -117.66 -5.86 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 m120 64.35 25.09 13.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -83.24 112.71 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 42.7 pttt -42.2 113.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 37' ' ' THR . 31.1 m -99.97 23.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.79 -139.83 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -101.5 26.93 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -132.13 30.72 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.22 173.52 46.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -107.6 103.31 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -86.35 122.84 30.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.4 t -83.79 156.62 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -52.15 -28.51 18.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.5 p -63.39 -34.79 78.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 29.05 3.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.5 m -117.72 148.76 41.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.401 . . . . 0.0 110.885 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.5 ' CG2' HG21 ' A' ' 25' ' ' VAL . 12.1 m -100.25 139.56 35.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 47.0 m-85 -136.67 165.57 25.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 19.7 p -95.31 33.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.1 -49.81 3.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.8 m -66.89 -26.08 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -115.81 20.0 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -67.96 -20.74 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -71.63 152.55 93.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 -44.64 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.13 -23.34 63.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -73.88 -35.29 64.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.642 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 40.2 p-80 -118.71 34.21 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.639 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' HIS . 12.5 pt-20 32.72 47.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.469 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 31.1 t -46.92 135.86 8.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.8 m -83.28 -35.29 25.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -39.29 136.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.87 81.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -60.38 -44.04 96.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -76.97 127.95 33.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.34 101.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.7 t -111.78 142.87 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.43 -90.57 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.3 p -64.86 131.7 47.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.18 147.48 5.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.59 13.5 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.4 t -94.36 140.95 29.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -86.43 170.01 12.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.455 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -144.12 155.99 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.828 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 m -137.4 158.76 43.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.31 74.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -102.07 84.68 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -73.64 153.96 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.83 -160.78 28.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.537 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' SER . 54.0 Cg_endo -69.79 -46.11 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' PRO . 76.8 p 37.69 41.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' NH2' ' HD2' ' A' ' 13' ' ' ARG . 8.1 mmm180 -72.75 138.82 80.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -163.2 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.724 2.283 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.34 47.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 9.3 mtt-85 -61.05 -62.25 6.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.723 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 13' ' ' ARG . 53.6 Cg_endo -69.77 104.56 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 17' ' ' ARG . 89.0 m-20 -89.44 -28.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.4 p30 -54.93 83.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 15' ' ' ASN . 27.1 mtt180 -168.22 161.89 12.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.2 t -93.1 133.49 36.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 45.8 t80 -81.99 23.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -134.64 -40.69 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.6 p -122.59 -5.05 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m120 64.76 25.0 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -81.39 111.66 17.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 14.1 ptmt -43.92 111.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.482 HG21 ' CG2' ' A' ' 37' ' ' THR . 16.8 m -96.23 19.34 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 36.15 -133.62 0.72 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.52 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 m -99.71 21.06 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.0 39.95 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.44 161.92 26.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -104.58 97.96 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -78.72 121.37 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 t -82.57 157.22 23.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -51.22 -28.42 11.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.7 p -65.45 -33.5 76.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.12 26.17 4.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 m -113.77 149.18 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.898 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.482 ' CG2' HG21 ' A' ' 25' ' ' VAL . 21.1 m -99.05 138.79 35.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.66 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 48.8 m-85 -138.42 166.08 25.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.41 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 11.1 p -98.48 37.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.89 -50.96 3.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 m -64.99 -23.81 67.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.557 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.1 m170 -122.08 25.37 9.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -75.0 -19.98 59.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.478 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 35.3 m-85 -72.27 148.68 91.27 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.664 0.745 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.81 -32.6 18.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.15 -21.02 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -97.55 20.26 12.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.66 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 p-80 -172.76 128.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -43.68 90.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' HIS . 10.3 t -101.18 99.41 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 52' ' ' PHE . 1.9 t -68.11 -35.69 78.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.5 t80 -35.08 105.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.33 84.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CZ ' ' SG ' ' A' ' 50' ' ' CYS . 34.5 m-85 -62.59 -43.37 98.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -99.75 171.99 7.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 65.02 43.29 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.6 t -138.04 121.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.15 -93.1 0.14 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -97.49 122.71 40.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.968 0.413 . . . . 0.0 110.858 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.14 173.36 35.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 142.99 49.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.316 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p -80.82 45.16 0.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.8 t -160.24 153.23 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.511 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.546 -0.221 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -81.46 170.14 16.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.7 p -165.59 144.45 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.18 172.63 36.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -156.52 125.28 5.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -155.06 120.18 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.816 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.6 143.19 19.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 99.83 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.6 p -174.99 149.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -76.83 143.12 70.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.63 0.729 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -165.05 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 m -80.44 42.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -60.03 127.94 86.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -166.82 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -127.54 30.89 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -98.73 83.89 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 6.4 mtm105 -172.49 152.08 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 20' ' ' SER . 35.7 t -89.24 130.88 35.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.436 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -79.55 20.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.9 OUTLIER -133.02 -33.77 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 p -128.85 -4.14 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 60.85 25.0 14.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -82.57 107.01 14.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 39.6 pttt -40.8 110.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.526 HG21 ' CG2' ' A' ' 37' ' ' THR . 19.4 m -95.6 22.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.6 -137.49 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.1 26.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.6 mmt -134.85 39.15 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.66 171.77 35.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -105.9 99.46 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -79.12 120.37 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -81.22 158.84 24.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -53.28 -32.05 46.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -62.52 -37.09 84.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.61 26.79 3.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -111.31 157.8 19.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.814 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.526 ' CG2' HG21 ' A' ' 25' ' ' VAL . 9.0 m -107.65 133.92 51.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 51.5 m-85 -134.92 163.97 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 7.8 p -94.34 37.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.81 -49.71 2.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -65.36 -27.57 68.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.81 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.465 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 16.7 m80 -118.18 24.95 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -74.21 -19.92 60.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -70.59 147.38 94.64 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.714 0.769 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.21 26.81 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.225 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.64 -21.47 59.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -95.94 19.99 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.639 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.7 p-80 -172.74 134.62 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -49.43 87.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' HIS . 1.8 t -101.25 113.54 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.2 t -109.11 41.35 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -99.42 146.34 26.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.55 88.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -82.36 -53.7 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -51.15 158.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -132.3 101.56 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.7 t -67.17 107.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.75 39.34 2.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.3 p -101.88 114.29 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.2 170.75 21.29 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 86.59 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 m -143.51 132.61 23.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.9 t -143.04 123.53 13.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.516 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -116.86 107.12 14.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 110.899 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -71.48 -57.93 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.45 144.9 8.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -147.67 112.71 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 t -157.0 118.65 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.92 80.42 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -0.11 6.41 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.741 2.294 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -104.25 145.91 29.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -66.16 152.45 93.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -168.33 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.382 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.3 m -83.4 51.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -81.24 139.59 48.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 112.62 3.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.97 23.15 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -91.49 80.78 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 24.2 mtt180 -166.9 157.65 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.3 t -87.12 134.13 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.54 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 53.2 t80 -83.16 22.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -134.42 -39.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 p -121.48 -5.5 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.07 24.97 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HE2' ' CB ' ' A' ' 39' ' ' CYS . 9.8 ttpt -83.44 111.37 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 15.6 pttm -40.03 115.67 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.484 HG21 ' CG2' ' A' ' 37' ' ' THR . 33.8 m -103.26 24.3 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.77 -144.14 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -100.11 28.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.3 mmm -134.13 27.72 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.04 179.34 52.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 38.2 m-85 -111.15 103.6 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -88.35 121.12 30.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 44.3 t -77.83 162.35 26.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -59.67 -25.53 64.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 p -66.55 -35.96 81.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.05 33.4 1.52 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 2.6 m -122.76 146.15 47.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.935 0.398 . . . . 0.0 110.869 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.484 ' CG2' HG21 ' A' ' 25' ' ' VAL . 18.4 m -98.16 139.5 33.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.621 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 48.0 m-85 -137.2 167.07 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 14.8 p -95.96 32.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.97 -42.61 2.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -74.51 -20.82 59.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.575 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 15.8 m170 -123.27 23.42 9.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HD2' ' CG ' ' A' ' 30' ' ' PHE . 5.9 ptm180 -76.19 -13.94 60.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 45.7 m-85 -75.59 150.57 84.53 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.681 0.753 . . . . 0.0 110.932 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -35.18 12.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.07 -18.39 64.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -102.06 19.15 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.621 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.0 p-80 -172.07 129.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -45.91 89.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 48' ' ' HIS . 10.4 t -99.13 108.29 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -94.84 35.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 1.7 t80 -117.81 151.85 36.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -118.56 81.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -50.11 -38.99 41.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.25 160.95 20.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -102.16 80.57 1.99 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.0 t -75.46 -41.11 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.83 89.02 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -165.73 162.41 18.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.386 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.24 -75.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 159.92 51.62 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.1 m -61.29 153.42 26.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.7 p -129.17 131.12 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.498 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.3 m -148.25 131.87 16.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -110.53 123.34 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.69 62.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -133.8 109.07 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -93.23 168.47 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.12 158.45 26.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 163.32 38.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.5 m -65.63 -59.92 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 17.7 ttp-105 -147.85 138.44 12.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.602 0.715 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.36 46.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 14.9 mmt85 -63.54 159.85 48.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.73 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.48 ' HD2' ' CD ' ' A' ' 13' ' ' ARG . 53.9 Cg_endo -69.78 -175.78 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.353 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -119.82 29.32 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -97.63 84.17 3.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 8.6 mtm180 -169.56 153.43 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.6 t -86.96 132.59 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 50.9 t80 -82.22 24.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.465 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.6 m -134.39 -37.98 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 p -125.72 -13.34 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 t30 74.78 25.01 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -81.68 108.54 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 23.3 pttm -41.73 111.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.52 HG23 ' CG2' ' A' ' 37' ' ' THR . 16.8 m -96.81 22.32 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.54 -142.77 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -94.22 27.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.5 mtm -134.97 37.89 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.38 167.66 35.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -109.05 97.96 7.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -80.28 121.49 25.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.4 t -83.11 163.56 20.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -55.25 -33.71 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.7 p -58.8 -25.35 63.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.56 32.43 5.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 17.9 m -122.91 148.68 45.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.983 0.421 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.52 ' CG2' HG23 ' A' ' 25' ' ' VAL . 42.5 m -94.84 140.93 29.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 52.1 m-85 -139.98 165.82 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.43 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.7 p -98.78 36.9 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.02 -48.43 3.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.8 m -67.67 -19.96 65.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 119.358 -0.353 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.587 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.4 m170 -125.04 24.61 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 ptt85 -77.48 -14.38 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.438 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 54.3 m-85 -75.9 145.57 77.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.744 . . . . 0.0 110.92 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.74 -22.88 31.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.268 . . . . 0.0 112.355 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -78.68 -23.04 45.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -96.42 21.76 8.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.59 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 6.1 p-80 -175.03 149.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.597 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -64.69 72.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' HIS . 30.2 t -66.75 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.5 t 38.39 34.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -109.45 129.11 55.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -81.55 88.29 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -63.48 -46.01 88.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -58.92 119.06 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -103.3 162.14 13.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -97.72 137.19 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -107.84 52.04 0.68 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.5 m 44.74 42.24 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.813 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -143.86 140.68 9.66 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.557 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.13 53.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.385 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -116.87 119.57 35.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.4 t -51.43 -56.63 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.515 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -159.22 144.89 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.927 0.394 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 p -85.67 157.56 20.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.55 156.93 33.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -165.53 150.43 8.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 m -144.03 143.61 31.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.19 -147.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.3 p -172.9 155.55 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 11.3 ttm105 -39.93 140.93 0.83 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 10' ' ' ARG . 53.8 Cg_endo -69.77 -161.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -74.43 46.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.84 118.97 26.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 125.3 12.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -105.7 23.17 14.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 1.1 p30 -94.17 83.7 4.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 2.5 mtt85 -169.77 151.14 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.4 t -83.02 134.43 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 53.8 t80 -82.77 24.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.424 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.8 m -134.35 -43.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 p -120.46 -9.91 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t30 71.54 24.98 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -81.2 106.52 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 3.9 ptmm? -37.14 117.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG22 ' CG2' ' A' ' 37' ' ' THR . 30.7 m -104.12 25.26 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 32.92 -141.4 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.7 m -100.42 29.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.3 mtm -135.0 31.28 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.98 172.43 47.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 24.9 m-85 -104.21 99.71 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -81.27 123.38 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.8 t -85.89 158.52 19.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -54.35 -32.73 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.5 p -60.22 -38.11 82.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.8 29.63 2.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.0 m -117.51 150.67 38.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.495 ' CG2' HG22 ' A' ' 25' ' ' VAL . 8.8 m -102.36 137.22 40.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.612 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 31.3 m-85 -135.31 164.21 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.445 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 23.1 p -94.2 33.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.74 -42.03 2.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.3 m -75.1 -20.74 59.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 119.328 -0.367 . . . . 0.0 110.832 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.607 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 15.3 m170 -124.33 25.23 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.573 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.518 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -76.98 -16.23 59.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.482 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 46.0 m-85 -74.62 150.38 86.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.705 0.764 . . . . 0.0 110.908 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.77 -20.11 63.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -99.37 19.25 15.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.612 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 4.1 p-80 -172.51 128.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -44.04 90.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' HIS . 5.6 t -102.36 94.24 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' PHE . 34.9 t -64.59 -38.39 90.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' SER . 7.8 t80 -34.36 128.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -88.11 88.6 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.44 -55.26 22.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.18 162.64 23.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -55.88 115.93 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.6 t -93.01 -57.68 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.37 -84.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -62.3 96.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.38 . . . . 0.0 110.813 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -117.59 -94.28 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 2.91 3.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -65.86 -63.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 p -149.06 143.9 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.47 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -141.13 165.52 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.357 . . . . 0.0 110.822 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 p -158.02 171.08 20.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.49 118.87 1.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -134.72 129.09 34.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 m -50.05 166.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.6 138.23 9.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -72.37 170.78 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -108.95 153.76 42.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.548 0.69 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.659 2.24 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.9 m -83.68 47.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 -75.16 125.55 88.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -176.5 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.372 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' ARG . 35.2 m120 -106.07 -30.0 9.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 8.3 p30 -54.9 83.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' ASN . 33.0 mtt-85 -169.26 163.12 10.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.7 t -94.8 134.46 37.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 56.8 t80 -82.22 23.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.44 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.14 -41.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.8 p -121.79 -4.79 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 64.52 25.05 13.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -81.35 112.68 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 18.3 ptmt -44.74 110.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.492 HG23 ' CG2' ' A' ' 37' ' ' THR . 16.1 m -95.76 20.24 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 37.14 -119.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 m -106.51 -7.97 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.65 39.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.07 151.26 20.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -95.73 110.06 22.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -91.29 117.55 29.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.4 t -78.78 159.13 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -32.35 48.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -61.72 -37.88 85.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.06 30.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.7 m -116.6 148.71 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.951 0.405 . . . . 0.0 110.853 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.492 ' CG2' HG23 ' A' ' 25' ' ' VAL . 9.6 m -100.72 138.5 37.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.664 ' CZ ' ' ND1' ' A' ' 48' ' ' HIS . 35.6 m-85 -136.44 166.44 23.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.8 p -99.01 36.22 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.3 -50.08 3.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.1 m -66.39 -22.44 66.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.546 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.5 m170 -122.72 24.12 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.608 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -72.43 -20.48 61.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -73.92 152.57 88.85 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.667 0.746 . . . . 0.0 110.929 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.71 -44.09 2.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.378 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -61.93 -21.19 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -77.13 -33.28 56.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.664 ' ND1' ' CZ ' ' A' ' 38' ' ' PHE . 32.3 p-80 -119.49 32.86 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.616 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 48' ' ' HIS . 33.7 mm-40 33.89 45.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.457 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 46.2 t -41.49 130.76 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 t -79.76 -31.75 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -39.02 149.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.01 81.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -57.18 -40.77 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -104.01 83.95 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 57' ' ' VAL . 13.3 tp10 -64.52 146.21 54.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 56' ' ' GLU . 93.8 t -33.82 147.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.16 88.26 1.79 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.2 p -145.34 149.11 34.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.836 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 174.43 117.07 0.46 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.5 27.4 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.1 t -54.58 132.52 45.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.8 m -84.4 42.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.469 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 m -98.05 123.11 41.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.917 0.389 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -89.66 154.55 19.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.07 59.99 0.19 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -43.93 134.79 4.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -90.32 128.23 36.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.96 152.9 19.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.543 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.21 14.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -91.05 -47.3 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -67.34 139.73 94.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -167.88 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -81.3 49.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmm-85 -109.87 125.57 30.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.71 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -163.92 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -77.06 53.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.49 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.5 p30 -95.34 78.53 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 15.4 mtt180 -168.25 160.67 11.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.3 t -91.32 132.78 35.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 44.3 t80 -82.3 23.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.465 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -133.23 -41.07 0.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.67 -12.69 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 74.2 25.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -82.31 112.87 19.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 23.3 pttm -45.26 111.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.499 HG21 ' CG2' ' A' ' 37' ' ' THR . 17.6 m -96.21 18.78 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.06 -135.43 1.37 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.34 27.21 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 mmt -134.68 38.96 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.2 172.58 32.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -107.06 100.97 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -82.99 118.46 23.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.5 t -78.65 156.5 29.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -53.98 -28.0 34.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.96 -36.59 84.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.19 31.58 1.84 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 m -121.14 150.87 40.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.499 ' CG2' HG21 ' A' ' 25' ' ' VAL . 16.4 m -101.7 139.04 37.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 47.4 m-85 -137.05 164.59 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.426 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.3 p -98.52 40.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.64 -50.67 2.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.7 m -65.88 -22.68 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.522 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 23.3 m170 -122.0 24.11 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -73.44 -20.81 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -73.8 152.39 89.06 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.704 0.764 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.73 -44.45 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.95 -23.25 65.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -75.6 -31.89 60.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 35.6 p-80 -122.14 35.96 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 48' ' ' HIS . 5.3 pt-20 30.4 52.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.46 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 48.2 t -53.49 146.63 12.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -120.61 31.43 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.51 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 46.1 t80 -80.21 162.48 24.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 4.5 p-10 -104.69 61.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' A' ' 52' ' ' PHE . 64.4 m-85 -57.24 -38.23 73.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.1 mmpt? -101.14 37.21 1.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LYS . 8.2 pt-20 33.71 42.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.65 99.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.58 -169.14 19.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 m -108.58 152.6 24.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.5 155.63 9.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' A' ' 63' ' ' SER . 53.8 Cg_endo -69.71 1.21 4.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.248 . . . . 0.0 112.383 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 t -52.4 86.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 61' ' ' PRO . 78.7 p -119.13 120.21 36.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.833 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.475 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -112.37 -60.34 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.381 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m 46.53 42.43 11.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.87 -47.42 2.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 p -117.44 137.39 52.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -120.84 42.45 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 114.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.48 45.79 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.2 p -173.02 145.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 130.73 72.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -164.29 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.455 ' C ' ' OD1' ' A' ' 15' ' ' ASN . 35.3 m -82.49 42.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.489 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 3.8 mmm180 -71.78 -59.74 2.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.9 Cg_endo -69.7 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.455 ' OD1' ' C ' ' A' ' 12' ' ' VAL . 35.1 m-20 50.47 25.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -96.37 84.98 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 9.9 mtt85 -170.82 154.7 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.0 t -87.56 133.15 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.576 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 50.4 t80 -81.64 23.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.41 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.58 -39.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.48 -5.13 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.62 25.05 13.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -81.87 109.88 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 5.8 ptpp? -42.68 113.97 0.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.505 HG23 ' CG2' ' A' ' 37' ' ' THR . 15.7 m -96.81 22.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.62 -129.58 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.3 m -102.99 24.53 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -131.53 44.44 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.25 159.26 21.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -102.21 99.72 9.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -81.08 119.72 23.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.9 t -82.42 159.83 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -53.93 -27.81 33.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.8 p -64.24 -37.01 85.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.2 26.12 3.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.547 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 m -115.0 151.98 33.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.864 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.505 ' CG2' HG23 ' A' ' 25' ' ' VAL . 22.3 m -102.63 138.68 39.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.65 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 45.4 m-85 -136.36 164.79 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.0 p -96.78 35.23 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.6 -50.87 4.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -65.97 -23.84 66.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.59 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 m170 -121.26 25.12 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -75.92 -18.8 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.434 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 35.5 m-85 -74.31 148.84 86.45 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.702 0.763 . . . . 0.0 110.924 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.7 -33.45 16.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.35 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.76 -18.8 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -100.32 19.38 16.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.65 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.1 p-80 -171.58 129.92 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.573 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -44.89 90.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' HIS . 5.3 t -103.26 96.42 6.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.7 t -92.9 39.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -98.53 135.97 39.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -75.7 83.24 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -69.46 -47.43 64.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt 37.36 51.63 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -114.01 79.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.01 41.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.42 -145.07 30.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.1 m -127.01 100.93 6.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.29 -172.83 14.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.21 32.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.7 t -170.26 131.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -38.3 136.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.103 -0.831 . . . . 0.0 112.504 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -128.07 164.68 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p -74.42 120.56 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.52 93.9 0.95 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -98.95 106.08 18.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.826 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -103.91 119.15 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.18 124.69 7.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 97.78 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.0 p -116.09 141.23 48.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 -58.99 143.5 83.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -83.72 45.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 2.6 mmm180 -94.99 108.27 37.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.631 0.729 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD2' ' NH1' ' A' ' 13' ' ' ARG . 53.8 Cg_endo -69.74 126.9 13.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' ARG . 78.9 m-20 -90.59 -25.07 20.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 2.0 p30 -57.91 81.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 33.7 mtt-85 -166.11 163.41 18.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.9 t -92.89 134.68 34.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 51.9 t80 -83.08 23.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -135.0 -42.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 p -120.46 -4.63 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 63.83 25.04 13.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.38 110.17 16.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 13.6 pttp -41.76 112.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG23 ' CG2' ' A' ' 37' ' ' THR . 19.1 m -98.0 21.91 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.08 -139.16 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 m -97.5 23.63 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.95 34.33 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.87 167.66 35.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -106.6 103.07 12.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -82.27 123.96 29.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.7 t -83.24 157.31 22.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -52.17 -33.17 39.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -61.71 -36.84 82.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.03 29.11 2.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 2.7 m -116.1 149.45 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.954 0.407 . . . . 0.0 110.836 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.495 ' CG2' HG23 ' A' ' 25' ' ' VAL . 24.3 m -99.81 141.05 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 44.3 m-85 -139.94 166.2 25.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.467 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 12.4 p -96.67 34.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.78 -42.37 2.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.0 m -73.37 -22.24 60.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.588 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.9 m80 -123.87 23.41 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.594 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 5.9 ptm180 -75.39 -18.54 59.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -74.22 152.37 88.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.943 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -44.83 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -62.87 -19.39 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -79.69 -35.28 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.486 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 40.1 p-80 -118.66 35.34 4.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 48' ' ' HIS . 77.2 mm-40 31.1 53.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.467 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 49.8 t -55.1 158.36 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.5 m -130.69 31.62 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' PHE . 38.1 t80 -84.63 106.66 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.84 88.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' PHE . 38.5 m-85 -70.16 -48.04 59.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -95.28 169.65 9.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -153.47 114.68 4.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -96.69 142.21 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.88 179.43 42.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.8 t -62.49 109.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.47 163.37 32.5 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 85.54 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -125.62 80.76 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.9 t -170.82 163.24 7.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.505 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -121.52 146.99 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -168.53 133.45 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.805 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.27 89.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -118.51 -44.75 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -103.44 119.32 38.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.75 -150.04 6.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 160.82 48.28 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -54.73 174.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -46.48 135.0 7.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -170.47 0.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.9 m -81.15 41.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.529 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 3.5 mmm180 -69.02 -57.6 7.38 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.617 0.723 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.6 Cg_endo -69.78 132.64 23.71 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -98.38 25.66 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.501 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -95.48 85.55 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 18.7 mtm180 -169.4 151.57 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' C ' ' H ' ' A' ' 20' ' ' SER . 38.5 t -87.4 131.27 34.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 46.7 t80 -80.77 24.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 18' ' ' CYS . 1.7 m -134.19 -38.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.3 p -125.89 -13.01 6.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t30 74.86 25.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.81 109.02 15.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 7.2 ptmm? -41.32 111.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.496 HG21 ' CG2' ' A' ' 37' ' ' THR . 25.5 m -96.52 22.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.38 -135.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -100.98 24.95 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.7 mmm -131.57 38.21 3.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.36 168.06 29.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.452 ' CE1' ' CZ ' ' A' ' 43' ' ' ARG . 27.2 m-85 -106.48 99.73 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -79.7 131.67 36.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.76 161.71 14.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 19.2 mmtm -55.87 -30.31 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.96 -35.02 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.39 28.14 3.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -114.05 151.69 32.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.496 ' CG2' HG21 ' A' ' 25' ' ' VAL . 10.1 m -103.79 135.42 45.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 47.9 m-85 -133.27 165.47 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.437 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.4 p -96.78 35.49 1.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.39 -48.36 2.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 m -68.48 -19.88 64.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 119.391 -0.338 . . . . 0.0 110.886 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.608 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 12.2 m170 -125.52 25.53 7.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CZ ' ' CE1' ' A' ' 30' ' ' PHE . 6.2 ptm180 -79.25 -11.09 59.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 67.3 m-85 -77.83 147.99 75.06 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.672 0.749 . . . . 0.0 110.897 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' HIS . 54.6 Cg_endo -69.68 -28.47 25.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -75.46 -20.15 59.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.53 15.57 22.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.514 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.9 p-80 -168.2 134.97 2.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 109.579 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -50.18 86.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 48' ' ' HIS . 4.4 t -97.25 113.25 24.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.2 p -103.59 34.77 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 23.5 t80 -99.83 144.98 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.62 83.94 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -62.2 -45.65 92.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -53.87 127.21 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -108.96 127.53 54.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.66 132.33 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.03 -87.47 0.12 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m -154.89 136.46 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.67 146.01 4.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 101.92 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.325 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 t -77.94 -54.21 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -152.78 158.14 41.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.49 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -166.23 175.79 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 110.846 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -169.83 151.35 4.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.29 167.16 12.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -168.36 122.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.833 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -132.74 165.55 24.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.77 103.5 0.17 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 86.36 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.723 2.282 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -100.29 120.96 40.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mtm105 -76.85 135.94 67.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -171.31 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.276 . . . . 0.0 112.375 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 m -80.27 45.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -71.84 158.15 88.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.73 28.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -94.81 27.66 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -100.85 79.6 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 24.8 mtt180 -163.88 163.44 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.3 t -90.13 133.26 34.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.566 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 54.5 t80 -83.21 24.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.472 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.7 -44.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 p -116.8 -13.6 10.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 t30 75.01 24.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -83.04 112.47 19.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 11.8 ptpt -43.77 114.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' CG2' ' A' ' 37' ' ' THR . 19.9 m -99.13 21.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 31.74 -138.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -96.64 27.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 29.6 mtm -134.97 40.25 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.73 165.56 23.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -104.39 100.51 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -83.19 123.73 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 t -84.4 157.18 21.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 5.6 mmpt? -53.7 -31.6 48.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -58.15 -37.85 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.61 27.92 2.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.4 m -121.17 149.55 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.513 ' CG2' HG23 ' A' ' 25' ' ' VAL . 58.5 m -100.71 142.93 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.626 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 43.4 m-85 -138.28 166.35 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.8 p -97.54 33.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.02 -40.79 2.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -76.48 -16.37 59.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.329 -0.367 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 14.9 m170 -130.33 23.13 5.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.57 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 5.9 ptm180 -72.37 -26.62 61.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -63.53 152.48 85.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.955 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.515 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.81 -33.27 16.73 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.321 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.34 -21.29 59.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 8.04 6.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.626 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 25.6 p-80 -162.45 -175.03 4.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.621 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 49' ' ' GLU . 1.2 pp20? -84.62 51.29 2.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.406 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 3.1 t -62.88 112.62 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -111.77 39.95 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 33' ' ' LYS . 34.5 t80 -87.76 156.96 19.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 5.1 p-10 -102.09 58.31 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.4 ' CE2' ' HB3' ' A' ' 52' ' ' PHE . 74.2 m-85 -52.7 -40.38 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -42.48 108.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.96 39.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.3 p -89.22 135.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.76 113.38 3.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.2 t -90.92 105.2 17.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -146.34 93.38 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 91.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -42.14 156.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.1 m -45.33 148.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.531 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.4 p -172.55 146.88 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.913 0.387 . . . . 0.0 110.885 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.0 p -172.94 147.21 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.32 -139.87 9.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -156.55 161.89 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -173.3 151.55 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.15 -169.05 31.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 99.18 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.33 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 m -137.79 129.49 28.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -82.72 149.71 60.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -168.61 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m -83.0 27.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.631 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 4.3 mmm180 -63.51 -52.09 62.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.4 Cg_endo -69.78 127.67 14.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -125.45 -27.56 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -57.46 78.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 15' ' ' ASN . 23.8 mtt180 -164.13 163.2 23.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -89.87 133.7 34.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.524 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 49.5 t80 -83.39 23.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -134.0 -43.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 p -117.12 -12.94 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 73.96 24.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -84.2 113.64 21.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 12.4 ptpt -41.84 116.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.464 HG23 ' CG2' ' A' ' 37' ' ' THR . 27.9 m -102.41 24.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.34 -142.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.9 m -99.57 29.14 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 47.5 mtm -134.66 30.47 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.08 176.36 53.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -111.83 103.3 11.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.955 0.407 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -82.94 118.32 23.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -77.92 155.01 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -49.28 -31.29 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -64.1 -35.15 79.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.03 32.67 2.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 m -118.29 146.72 44.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.464 ' CG2' HG23 ' A' ' 25' ' ' VAL . 11.2 m -95.06 136.38 35.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 55.8 m-85 -136.5 164.75 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.417 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 20.2 p -93.23 33.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.2 -46.59 3.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -70.56 -23.87 62.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 119.405 -0.331 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.517 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 21.6 m170 -117.52 21.42 13.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -71.38 -16.91 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.67 147.8 84.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.696 0.76 . . . . 0.0 110.922 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.69 -33.44 16.82 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.87 -20.33 64.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -97.15 17.31 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.625 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.0 p-80 -170.94 126.64 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.619 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -43.62 90.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 48' ' ' HIS . 13.2 t -98.96 109.26 22.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m -88.63 33.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -99.52 133.79 43.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.65 87.79 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 55' ' ' LYS . 82.9 m-85 -72.07 -39.58 68.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -33.18 -58.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -52.32 117.22 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.9 p -82.85 137.61 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.32 41.67 0.35 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.0 m -67.36 -54.97 15.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.935 0.397 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' A' ' 62' ' ' SER . . . -170.78 98.53 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 62' ' ' SER . 53.7 Cg_endo -69.76 11.24 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.508 ' C ' ' O ' ' A' ' 61' ' ' PRO . 49.1 p -28.98 -47.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -62.64 127.86 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.516 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.553 ' N ' HG22 ' A' ' 25' ' ' VAL . 25.5 mtt-85 -172.06 153.58 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.9 t -86.38 134.12 33.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 54.7 t80 -81.41 21.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -134.29 -41.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.4 p -119.24 -6.18 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 64.08 25.07 13.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -83.52 111.53 19.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 9.3 ptpt -40.81 114.51 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.81 HG21 HG22 ' A' ' 37' ' ' THR . 30.2 m -101.06 23.37 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 37.05 -139.04 0.43 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 m -104.3 23.74 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -128.86 28.78 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.48 178.87 52.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 40' ' ' GLY . 36.2 m-85 -111.06 102.8 11.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -82.84 129.85 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 33.1 t -88.79 159.9 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -54.59 -32.81 59.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.35 -35.06 79.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.62 33.2 1.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.9 m -117.03 150.61 38.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.81 HG22 HG21 ' A' ' 25' ' ' VAL . 7.1 m -102.5 136.11 42.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 50.4 m-85 -134.46 164.58 27.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 15.6 p -91.79 30.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 30' ' ' PHE . . . 80.74 -37.58 2.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.539 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.7 m -79.98 -21.83 43.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.593 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.5 m170 -119.55 21.66 12.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.568 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.483 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.5 ptm180 -73.54 -15.34 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -75.78 147.31 80.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.709 0.766 . . . . 0.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -34.14 15.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.27 -20.45 64.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.484 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.855 0.36 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.541 ' N ' HG22 ' A' ' 25' ' ' VAL . 16.3 mtt180 -171.29 156.34 4.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.1 t -90.29 133.72 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.592 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.0 t80 -81.46 22.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -134.14 -40.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.8 p -123.43 -5.2 8.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.43 25.0 13.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -81.39 109.77 16.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 12.8 pttm -42.3 111.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.72 HG21 HG22 ' A' ' 37' ' ' THR . 17.2 m -95.6 19.32 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 38.48 -136.4 1.04 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.6 23.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 40.7 mtt -130.74 36.92 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.74 168.95 32.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.401 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 25.8 m-85 -105.09 100.44 10.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -81.39 124.58 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.6 t -85.68 160.05 19.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -56.28 -28.49 58.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.72 -37.16 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.18 29.59 2.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.0 m -118.25 153.05 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.882 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.72 HG22 HG21 ' A' ' 25' ' ' VAL . 8.5 m -103.69 137.41 41.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 38.7 m-85 -135.55 164.43 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.1 p -96.72 34.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.25 -44.02 2.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 m -72.31 -18.49 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 119.385 -0.34 . . . . 0.0 110.821 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.615 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 16.7 m170 -128.25 25.6 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -78.36 -15.08 59.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -76.14 150.09 82.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.695 0.76 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.72 21.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.8 -16.99 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.487 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.809 0.337 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.558 ' N ' HG22 ' A' ' 25' ' ' VAL . 15.3 mtt180 -172.66 153.09 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.8 t -85.83 134.73 33.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 55.5 t80 -81.56 22.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -134.77 -43.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.1 p -118.14 -6.01 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 64.21 24.98 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HE2' ' CB ' ' A' ' 39' ' ' CYS . 9.0 ttpt -82.99 111.91 19.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 9.6 ptpt -41.56 114.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.742 HG21 HG22 ' A' ' 37' ' ' THR . 31.3 m -99.27 26.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.57 -141.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.1 m -102.37 27.86 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.8 mmt -134.92 32.21 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.02 178.08 52.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.434 ' CD2' ' HA2' ' A' ' 40' ' ' GLY . 37.0 m-85 -109.68 100.19 9.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -82.95 120.07 25.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.8 t -78.97 154.12 29.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -50.41 -31.3 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.9 p -63.36 -35.75 81.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.16 33.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.556 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 1.9 m -119.44 148.58 43.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.012 0.434 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.742 HG22 HG21 ' A' ' 25' ' ' VAL . 8.2 m -99.72 137.91 37.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 45.3 m-85 -138.11 163.57 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.489 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 15.0 p -93.09 34.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.434 ' HA2' ' CD2' ' A' ' 30' ' ' PHE . . . 78.67 -47.43 3.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -69.29 -24.96 64.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 119.334 -0.365 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 17.1 m170 -117.52 22.38 12.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -72.33 -16.84 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -76.25 149.02 81.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.695 0.76 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -34.35 14.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.31 -19.24 65.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.526 ' N ' HG22 ' A' ' 25' ' ' VAL . 16.2 mtt180 -171.57 157.67 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.8 t -92.1 134.09 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 51.8 t80 -81.63 22.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.494 ' HB2' ' CG ' ' A' ' 42' ' ' HIS . 1.8 m -133.62 -39.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -124.17 -5.13 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.02 24.97 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -80.99 109.13 15.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 48.3 pttt -42.24 109.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.621 HG21 HG22 ' A' ' 37' ' ' THR . 16.0 m -94.28 17.89 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.38 -137.39 1.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -98.9 26.37 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 45.9 mtt -132.92 39.21 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.87 167.89 28.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -103.85 100.37 10.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.386 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -80.0 121.17 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.13 156.19 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -30.4 28.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -63.27 -37.43 87.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.64 30.81 2.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 5.3 m -118.75 152.16 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.008 0.432 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.621 HG22 HG21 ' A' ' 25' ' ' VAL . 21.4 m -102.38 140.61 36.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 43.9 m-85 -139.2 164.85 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 10.3 p -98.68 37.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.05 -49.47 3.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -66.72 -23.37 66.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 119.35 -0.357 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.591 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 21.4 m80 -121.18 24.42 10.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.577 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -74.41 -18.95 60.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -75.2 148.29 83.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.68 0.752 . . . . 0.0 110.943 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.4 22.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -72.42 -19.2 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.57 ' N ' HG22 ' A' ' 25' ' ' VAL . 15.0 mtt180 -171.66 145.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t -77.9 136.45 38.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.4 t80 -83.86 23.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.443 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.14 -41.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 p -122.35 -4.19 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 m120 64.62 24.95 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -80.86 106.3 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -36.66 119.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.782 HG21 HG22 ' A' ' 37' ' ' THR . 27.6 m -106.15 28.09 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.39 -144.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -99.9 27.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 53.2 mmm -134.94 31.27 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.19 177.85 54.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -109.75 101.58 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -82.56 123.66 29.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 42.8 t -83.29 162.09 21.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 16.0 mtmm -56.71 -29.7 62.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.66 -36.21 83.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.99 31.48 2.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.8 m -117.1 150.15 39.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.891 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.782 HG22 HG21 ' A' ' 25' ' ' VAL . 11.4 m -99.07 137.21 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 37.9 m-85 -137.27 162.84 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.7 p -94.6 36.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.75 -47.42 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.0 m -68.93 -24.89 64.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 18.1 m170 -119.41 24.9 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.581 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -74.12 -17.45 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -75.36 149.26 84.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.74 12.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -66.27 -19.82 65.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.563 ' N ' HG22 ' A' ' 25' ' ' VAL . 28.6 mtt-85 -170.57 157.06 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -89.92 133.8 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.0 t80 -81.75 22.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -134.93 -40.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.8 p -122.01 -5.73 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.05 25.02 13.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.486 ' HE3' ' CB ' ' A' ' 39' ' ' CYS . 10.8 ttpp -82.93 110.91 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 6.5 ptmt -40.8 113.61 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.775 HG21 HG22 ' A' ' 37' ' ' THR . 27.5 m -100.56 23.2 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 36.18 -144.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.1 m -99.44 28.39 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mtm -133.79 27.01 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.79 177.04 53.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -108.68 102.38 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -83.75 127.39 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.05 161.1 19.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -58.22 -28.1 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.9 p -64.77 -36.47 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.4 31.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 m -120.09 151.66 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.775 HG22 HG21 ' A' ' 25' ' ' VAL . 7.1 m -102.81 137.19 41.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 47.3 m-85 -134.69 166.1 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.486 ' CB ' ' HE3' ' A' ' 23' ' ' LYS . 15.8 p -94.98 32.68 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.45 -41.87 2.34 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 m -75.53 -22.28 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 119.372 -0.347 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 17.5 m170 -120.95 22.78 10.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.456 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -75.12 -11.5 60.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -79.07 148.91 72.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.752 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -33.4 16.49 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.374 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.67 -18.03 63.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.838 0.352 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.611 ' N ' HG22 ' A' ' 25' ' ' VAL . 34.8 mtt-85 -168.3 154.39 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 42.0 t -86.09 135.94 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 57.1 t80 -83.47 23.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.448 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.6 m -134.58 -43.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 p -121.61 -3.9 9.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 64.41 24.99 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -80.1 106.48 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 43.0 pttt -37.39 116.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.753 HG21 HG22 ' A' ' 37' ' ' THR . 22.5 m -103.6 24.31 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 32.57 -139.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 m -100.77 28.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 68.6 mmm -134.58 33.64 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.82 172.22 36.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -104.91 109.27 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -89.4 123.76 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 35.8 t -85.44 161.2 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 70.1 mttt -56.32 -27.61 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.5 p -66.24 -33.5 75.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.69 23.8 5.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 12.8 m -110.05 151.66 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.968 0.413 . . . . 0.0 110.83 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.753 HG22 HG21 ' A' ' 25' ' ' VAL . 8.7 m -103.57 137.63 41.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 37.3 m-85 -134.4 164.54 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 20.9 p -96.17 35.13 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.13 -48.77 3.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -67.86 -24.41 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.834 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.551 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.4 m170 -119.57 22.28 11.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -70.28 -19.8 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -74.17 152.71 88.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.701 0.762 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -44.93 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.613 2.208 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -59.38 -24.09 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.509 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.633 ' N ' HG22 ' A' ' 25' ' ' VAL . 24.3 mtt180 -167.33 160.72 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.8 t -90.74 134.12 34.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 55.1 t80 -82.2 22.76 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -134.64 -43.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 p -117.66 -5.86 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 m120 64.35 25.09 13.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HE2' ' SG ' ' A' ' 39' ' ' CYS . 18.9 ttpt -83.24 112.71 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 42.7 pttt -42.2 113.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.731 HG21 HG22 ' A' ' 37' ' ' THR . 31.1 m -99.97 23.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.79 -139.83 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -101.5 26.93 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -132.13 30.72 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.22 173.52 46.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -107.6 103.31 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -86.35 122.84 30.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.4 t -83.79 156.62 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -52.15 -28.51 18.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.5 p -63.39 -34.79 78.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 29.05 3.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.5 m -117.72 148.76 41.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.401 . . . . 0.0 110.885 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.731 HG22 HG21 ' A' ' 25' ' ' VAL . 12.1 m -100.25 139.56 35.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 47.0 m-85 -136.67 165.57 25.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.448 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 19.7 p -95.31 33.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.1 -49.81 3.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.8 m -66.89 -26.08 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -115.81 20.0 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -67.96 -20.74 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -71.63 152.55 93.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.64 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.13 -23.34 63.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.504 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.603 ' N ' HG22 ' A' ' 25' ' ' VAL . 27.1 mtt180 -168.22 161.89 12.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.2 t -93.1 133.49 36.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 45.8 t80 -81.99 23.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -134.64 -40.69 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.6 p -122.59 -5.05 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m120 64.76 25.0 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -81.39 111.66 17.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 14.1 ptmt -43.92 111.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.637 HG21 HG22 ' A' ' 37' ' ' THR . 16.8 m -96.23 19.34 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 36.15 -133.62 0.72 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.52 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 m -99.71 21.06 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.0 39.95 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.44 161.92 26.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -104.58 97.96 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -78.72 121.37 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 t -82.57 157.22 23.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -51.22 -28.42 11.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.7 p -65.45 -33.5 76.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.12 26.17 4.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 m -113.77 149.18 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.898 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.637 HG22 HG21 ' A' ' 25' ' ' VAL . 21.1 m -99.05 138.79 35.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 48.8 m-85 -138.42 166.08 25.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.41 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 11.1 p -98.48 37.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.89 -50.96 3.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 m -64.99 -23.81 67.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.557 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.1 m170 -122.08 25.37 9.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -75.0 -19.98 59.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -72.27 148.68 91.27 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.664 0.745 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -32.6 18.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.15 -21.02 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.509 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 6.4 mtm105 -172.49 152.08 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' CB ' ' HG ' ' A' ' 21' ' ' CYS . 35.7 t -89.24 130.88 35.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.436 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -79.55 20.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.02 -33.77 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 4.5 p -128.85 -4.14 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 60.85 25.0 14.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -82.57 107.01 14.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 39.6 pttt -40.8 110.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.761 HG21 HG22 ' A' ' 37' ' ' THR . 19.4 m -95.6 22.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.6 -137.49 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.1 26.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.6 mmt -134.85 39.15 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.66 171.77 35.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -105.9 99.46 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -79.12 120.37 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -81.22 158.84 24.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -53.28 -32.05 46.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -62.52 -37.09 84.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.61 26.79 3.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 7.1 m -111.31 157.8 19.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.814 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.761 HG22 HG21 ' A' ' 25' ' ' VAL . 9.0 m -107.65 133.92 51.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 51.5 m-85 -134.92 163.97 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 7.8 p -94.34 37.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.81 -49.71 2.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -65.36 -27.57 68.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.81 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.465 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 16.7 m80 -118.18 24.95 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -74.21 -19.92 60.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -70.59 147.38 94.64 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.714 0.769 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.21 26.81 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.225 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.64 -21.47 59.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.809 0.338 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.683 ' N ' HG22 ' A' ' 25' ' ' VAL . 24.2 mtt180 -166.9 157.65 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.3 t -87.12 134.13 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 53.2 t80 -83.16 22.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -134.42 -39.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 p -121.48 -5.5 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.07 24.97 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HE2' ' CB ' ' A' ' 39' ' ' CYS . 9.8 ttpt -83.44 111.37 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 15.6 pttm -40.03 115.67 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.729 HG21 HG22 ' A' ' 37' ' ' THR . 33.8 m -103.26 24.3 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.77 -144.14 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -100.11 28.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.3 mmm -134.13 27.72 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.04 179.34 52.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 38.2 m-85 -111.15 103.6 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -88.35 121.12 30.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 44.3 t -77.83 162.35 26.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -59.67 -25.53 64.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 p -66.55 -35.96 81.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.05 33.4 1.52 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 2.6 m -122.76 146.15 47.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.935 0.398 . . . . 0.0 110.869 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.729 HG22 HG21 ' A' ' 25' ' ' VAL . 18.4 m -98.16 139.5 33.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 48.0 m-85 -137.2 167.07 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 14.8 p -95.96 32.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.97 -42.61 2.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -74.51 -20.82 59.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.575 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 15.8 m170 -123.27 23.42 9.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 30' ' ' PHE . 5.9 ptm180 -76.19 -13.94 60.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -75.59 150.57 84.53 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.681 0.753 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -35.18 12.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.07 -18.39 64.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.776 0.322 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.544 ' N ' HG22 ' A' ' 25' ' ' VAL . 8.6 mtm180 -169.56 153.43 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 38.6 t -86.96 132.59 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 50.9 t80 -82.22 24.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.489 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.6 m -134.39 -37.98 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 p -125.72 -13.34 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 t30 74.78 25.01 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -81.68 108.54 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 23.3 pttm -41.73 111.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.582 HG21 ' CG2' ' A' ' 37' ' ' THR . 16.8 m -96.81 22.32 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.54 -142.77 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -94.22 27.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.5 mtm -134.97 37.89 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.38 167.66 35.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -109.05 97.96 7.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -80.28 121.49 25.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.4 t -83.11 163.56 20.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -55.25 -33.71 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.7 p -58.8 -25.35 63.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.56 32.43 5.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 17.9 m -122.91 148.68 45.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.983 0.421 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.582 ' CG2' HG21 ' A' ' 25' ' ' VAL . 42.5 m -94.84 140.93 29.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 52.1 m-85 -139.98 165.82 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.432 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.7 p -98.78 36.9 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.02 -48.43 3.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.8 m -67.67 -19.96 65.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 119.358 -0.353 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.587 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.4 m170 -125.04 24.61 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 ptt85 -77.48 -14.38 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -75.9 145.57 77.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.744 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -22.88 31.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.268 . . . . 0.0 112.355 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -78.68 -23.04 45.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.602 ' N ' HG22 ' A' ' 25' ' ' VAL . 2.5 mtt85 -169.77 151.14 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.4 t -83.02 134.43 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.562 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 53.8 t80 -82.77 24.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.449 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.8 m -134.35 -43.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 p -120.46 -9.91 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 71.54 24.98 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -81.2 106.52 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 3.9 ptmm? -37.14 117.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.775 HG21 HG22 ' A' ' 37' ' ' THR . 30.7 m -104.12 25.26 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 32.92 -141.4 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.7 m -100.42 29.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.3 mtm -135.0 31.28 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.98 172.43 47.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.463 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 24.9 m-85 -104.21 99.71 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -81.27 123.38 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.8 t -85.89 158.52 19.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -54.35 -32.73 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.5 p -60.22 -38.11 82.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.8 29.63 2.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.0 m -117.51 150.67 38.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.775 HG22 HG21 ' A' ' 25' ' ' VAL . 8.8 m -102.36 137.22 40.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 31.3 m-85 -135.31 164.21 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 23.1 p -94.2 33.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.74 -42.03 2.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.3 m -75.1 -20.74 59.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 119.328 -0.367 . . . . 0.0 110.832 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.607 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 15.3 m170 -124.33 25.23 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.573 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -76.98 -16.23 59.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -74.62 150.38 86.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.705 0.764 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.77 -20.11 63.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.504 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.57 ' N ' HG22 ' A' ' 25' ' ' VAL . 33.0 mtt-85 -169.26 163.12 10.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.7 t -94.8 134.46 37.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 56.8 t80 -82.22 23.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.464 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.14 -41.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.8 p -121.79 -4.79 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 64.52 25.05 13.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -81.35 112.68 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 18.3 ptmt -44.74 110.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.662 HG21 HG22 ' A' ' 37' ' ' THR . 16.1 m -95.76 20.24 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 37.14 -119.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 m -106.51 -7.97 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.65 39.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.07 151.26 20.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -95.73 110.06 22.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -91.29 117.55 29.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.4 t -78.78 159.13 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -32.35 48.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -61.72 -37.88 85.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.06 30.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.7 m -116.6 148.71 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.951 0.405 . . . . 0.0 110.853 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.662 HG22 HG21 ' A' ' 25' ' ' VAL . 9.6 m -100.72 138.5 37.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 35.6 m-85 -136.44 166.44 23.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.8 p -99.01 36.22 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.3 -50.08 3.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.1 m -66.39 -22.44 66.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.546 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.5 m170 -122.72 24.12 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.608 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -72.43 -20.48 61.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -73.92 152.57 88.85 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.667 0.746 . . . . 0.0 110.929 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -44.09 2.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.378 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -61.93 -21.19 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.5 p30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.591 ' N ' HG22 ' A' ' 25' ' ' VAL . 15.4 mtt180 -168.25 160.67 11.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 38.3 t -91.32 132.78 35.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 44.3 t80 -82.3 23.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.489 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -133.23 -41.07 0.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.67 -12.69 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 74.2 25.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -82.31 112.87 19.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 23.3 pttm -45.26 111.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.682 HG21 HG22 ' A' ' 37' ' ' THR . 17.6 m -96.21 18.78 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.06 -135.43 1.37 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.34 27.21 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 mmt -134.68 38.96 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.2 172.58 32.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -107.06 100.97 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -82.99 118.46 23.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.5 t -78.65 156.5 29.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -53.98 -28.0 34.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.96 -36.59 84.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.19 31.58 1.84 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 m -121.14 150.87 40.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.682 HG22 HG21 ' A' ' 25' ' ' VAL . 16.4 m -101.7 139.04 37.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 47.4 m-85 -137.05 164.59 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.3 p -98.52 40.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.64 -50.67 2.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.7 m -65.88 -22.68 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.522 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 23.3 m170 -122.0 24.11 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -73.44 -20.81 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -73.8 152.39 89.06 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.704 0.764 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -44.45 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.95 -23.25 65.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.535 ' N ' HG22 ' A' ' 25' ' ' VAL . 9.9 mtt85 -170.82 154.7 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.0 t -87.56 133.15 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 50.4 t80 -81.64 23.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.435 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.58 -39.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.48 -5.13 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.62 25.05 13.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -81.87 109.88 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 5.8 ptpp? -42.68 113.97 0.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.62 HG21 HG22 ' A' ' 37' ' ' THR . 15.7 m -96.81 22.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.62 -129.58 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.3 m -102.99 24.53 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -131.53 44.44 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.25 159.26 21.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -102.21 99.72 9.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -81.08 119.72 23.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.9 t -82.42 159.83 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -53.93 -27.81 33.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.8 p -64.24 -37.01 85.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.2 26.12 3.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.547 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 m -115.0 151.98 33.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.864 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.62 HG22 HG21 ' A' ' 25' ' ' VAL . 22.3 m -102.63 138.68 39.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 45.4 m-85 -136.36 164.79 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.0 p -96.78 35.23 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.6 -50.87 4.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -65.97 -23.84 66.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.59 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 m170 -121.26 25.12 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -75.92 -18.8 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -74.31 148.84 86.45 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.702 0.763 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -33.45 16.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.35 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.76 -18.8 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.509 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 2.0 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.647 ' N ' HG22 ' A' ' 25' ' ' VAL . 33.7 mtt-85 -166.11 163.41 18.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 34.9 t -92.89 134.68 34.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 51.9 t80 -83.08 23.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -135.0 -42.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 p -120.46 -4.63 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 63.83 25.04 13.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.38 110.17 16.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 13.6 pttp -41.76 112.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.647 HG22 ' N ' ' A' ' 17' ' ' ARG . 19.1 m -98.0 21.91 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.08 -139.16 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 m -97.5 23.63 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.95 34.33 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.87 167.66 35.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -106.6 103.07 12.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -82.27 123.96 29.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.7 t -83.24 157.31 22.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -52.17 -33.17 39.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -61.71 -36.84 82.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.03 29.11 2.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 2.7 m -116.1 149.45 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.954 0.407 . . . . 0.0 110.836 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.645 HG22 HG21 ' A' ' 25' ' ' VAL . 24.3 m -99.81 141.05 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 44.3 m-85 -139.94 166.2 25.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.469 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 12.4 p -96.67 34.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.78 -42.37 2.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.0 m -73.37 -22.24 60.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.588 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.9 m80 -123.87 23.41 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.594 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 5.9 ptm180 -75.39 -18.54 59.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -74.22 152.37 88.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.943 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -44.83 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -62.87 -19.39 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.519 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.53 ' N ' HG22 ' A' ' 25' ' ' VAL . 18.7 mtm180 -169.4 151.57 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.5 t -87.4 131.27 34.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 46.7 t80 -80.77 24.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.42 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.19 -38.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.3 p -125.89 -13.01 6.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t30 74.86 25.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.81 109.02 15.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 7.2 ptmm? -41.32 111.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.73 HG21 HG22 ' A' ' 37' ' ' THR . 25.5 m -96.52 22.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.38 -135.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -100.98 24.95 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.7 mmm -131.57 38.21 3.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.36 168.06 29.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.452 ' CE1' ' CZ ' ' A' ' 43' ' ' ARG . 27.2 m-85 -106.48 99.73 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -79.7 131.67 36.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.76 161.71 14.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -55.87 -30.31 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.96 -35.02 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.39 28.14 3.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -114.05 151.69 32.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.73 HG22 HG21 ' A' ' 25' ' ' VAL . 10.1 m -103.79 135.42 45.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 47.9 m-85 -133.27 165.47 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.438 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.4 p -96.78 35.49 1.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.39 -48.36 2.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 m -68.48 -19.88 64.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 119.391 -0.338 . . . . 0.0 110.886 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.608 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 12.2 m170 -125.52 25.53 7.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CZ ' ' CE1' ' A' ' 30' ' ' PHE . 6.2 ptm180 -79.25 -11.09 59.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -77.83 147.99 75.06 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.672 0.749 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -28.47 25.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -75.46 -20.15 59.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.679 ' N ' HG22 ' A' ' 25' ' ' VAL . 24.8 mtt180 -163.88 163.44 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 35.3 t -90.13 133.26 34.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 54.5 t80 -83.21 24.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.497 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.7 -44.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 p -116.8 -13.6 10.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 t30 75.01 24.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -83.04 112.47 19.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 11.8 ptpt -43.77 114.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.679 HG22 ' N ' ' A' ' 17' ' ' ARG . 19.9 m -99.13 21.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 31.74 -138.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -96.64 27.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 29.6 mtm -134.97 40.25 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.73 165.56 23.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -104.39 100.51 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -83.19 123.73 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 t -84.4 157.18 21.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -53.7 -31.6 48.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -58.15 -37.85 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.61 27.92 2.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 6.4 m -121.17 149.55 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.62 ' CG2' HG21 ' A' ' 25' ' ' VAL . 58.5 m -100.71 142.93 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 43.4 m-85 -138.28 166.35 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.8 p -97.54 33.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.02 -40.79 2.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -76.48 -16.37 59.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.329 -0.367 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 14.9 m170 -130.33 23.13 5.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.582 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 5.9 ptm180 -72.37 -26.62 61.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -63.53 152.48 85.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.955 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -33.27 16.73 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.321 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.34 -21.29 59.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.729 ' N ' HG22 ' A' ' 25' ' ' VAL . 23.8 mtt180 -164.13 163.2 23.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -89.87 133.7 34.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 49.5 t80 -83.39 23.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -134.0 -43.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 p -117.12 -12.94 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.401 ' OD1' ' HD3' ' A' ' 17' ' ' ARG . 6.9 t-20 73.96 24.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HE2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 ttpt -84.2 113.64 21.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 12.4 ptpt -41.84 116.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.762 HG21 HG22 ' A' ' 37' ' ' THR . 27.9 m -102.41 24.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.34 -142.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.9 m -99.57 29.14 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 47.5 mtm -134.66 30.47 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.08 176.36 53.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -111.83 103.3 11.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.955 0.407 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -82.94 118.32 23.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -77.92 155.01 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -49.28 -31.29 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -64.1 -35.15 79.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.03 32.67 2.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 m -118.29 146.72 44.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.762 HG22 HG21 ' A' ' 25' ' ' VAL . 11.2 m -95.06 136.38 35.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 36' ' ' SER . 55.8 m-85 -136.5 164.75 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.417 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 20.2 p -93.23 33.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.2 -46.59 3.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -70.56 -23.87 62.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 119.405 -0.331 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.517 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 21.6 m170 -117.52 21.42 13.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -71.38 -16.91 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.67 147.8 84.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.696 0.76 . . . . 0.0 110.922 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -33.44 16.82 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.87 -20.33 64.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -94.19 117.03 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -64.08 -54.04 40.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.94 128.97 5.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -137.47 133.13 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -70.5 -64.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.83 104.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -1.78 9.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -111.63 142.14 44.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -82.71 155.71 68.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.563 0.697 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.83 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.248 . . . . 0.0 112.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.21 44.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 44.9 mmt-85 -73.96 154.3 88.83 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HB2' ' ND2' ' A' ' 16' ' ' ASN . 53.6 Cg_endo -69.76 -176.1 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -117.76 19.94 13.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.491 ' ND2' ' HB2' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -90.06 85.75 6.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.553 ' N ' HG22 ' A' ' 25' ' ' VAL . 25.5 mtt-85 -172.06 153.58 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.9 t -86.38 134.12 33.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 54.7 t80 -81.41 21.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -134.29 -41.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.4 p -119.24 -6.18 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 64.08 25.07 13.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -83.52 111.53 19.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 9.3 ptpt -40.81 114.51 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.81 HG21 HG22 ' A' ' 37' ' ' THR . 30.2 m -101.06 23.37 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 37.05 -139.04 0.43 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 m -104.3 23.74 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -128.86 28.78 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.48 178.87 52.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 40' ' ' GLY . 36.2 m-85 -111.06 102.8 11.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -82.84 129.85 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 33.1 t -88.79 159.9 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -54.59 -32.81 59.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.35 -35.06 79.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.62 33.2 1.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.9 m -117.03 150.61 38.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.81 HG22 HG21 ' A' ' 25' ' ' VAL . 7.1 m -102.5 136.11 42.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 50.4 m-85 -134.46 164.58 27.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 15.6 p -91.79 30.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 30' ' ' PHE . . . 80.74 -37.58 2.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.539 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.7 m -79.98 -21.83 43.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.593 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.5 m170 -119.55 21.66 12.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.568 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.483 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.5 ptm180 -73.54 -15.34 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 41.4 m-85 -75.78 147.31 80.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.709 0.766 . . . . 0.0 110.937 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -34.14 15.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.27 -20.45 64.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -98.37 17.85 17.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.622 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.0 p-80 -172.25 124.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.53 91.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' HIS . 7.5 t -103.83 96.36 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' PHE . 21.6 m -59.1 -37.3 76.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.1 t80 -36.92 138.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.18 86.04 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' LYS . 90.8 m-85 -66.47 -48.34 70.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' PHE . 43.0 mttt -34.7 141.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -52.28 170.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.2 p -45.72 144.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.56 -63.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.6 m -55.36 170.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.88 -78.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.15 19.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t -63.64 137.95 58.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -149.96 144.46 25.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.496 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -154.92 132.85 11.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.892 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -107.25 112.38 25.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.98 70.77 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.559 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -168.92 128.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -155.97 133.17 10.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.81 163.63 34.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 122.16 8.84 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -123.24 90.56 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -48.03 151.68 1.64 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.613 0.721 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -166.84 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -84.23 33.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 15.0 mmt180 -65.56 -60.03 8.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.7 Cg_endo -69.73 136.16 32.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.646 2.231 . . . . 0.0 112.366 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -132.48 25.22 4.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.484 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -94.06 85.37 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.541 ' N ' HG22 ' A' ' 25' ' ' VAL . 16.3 mtt180 -171.29 156.34 4.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.1 t -90.29 133.72 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.592 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.0 t80 -81.46 22.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -134.14 -40.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.8 p -123.43 -5.2 8.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.43 25.0 13.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -81.39 109.77 16.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 12.8 pttm -42.3 111.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.72 HG21 HG22 ' A' ' 37' ' ' THR . 17.2 m -95.6 19.32 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 38.48 -136.4 1.04 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.6 23.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 40.7 mtt -130.74 36.92 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.74 168.95 32.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 25.8 m-85 -105.09 100.44 10.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -81.39 124.58 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.6 t -85.68 160.05 19.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 89.1 mttt -56.28 -28.49 58.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.72 -37.16 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.18 29.59 2.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.0 m -118.25 153.05 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.882 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.72 HG22 HG21 ' A' ' 25' ' ' VAL . 8.5 m -103.69 137.41 41.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 38.7 m-85 -135.55 164.43 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.1 p -96.72 34.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.25 -44.02 2.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 m -72.31 -18.49 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 119.385 -0.34 . . . . 0.0 110.821 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.615 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 16.7 m170 -128.25 25.6 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -78.36 -15.08 59.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.471 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 44.6 m-85 -76.14 150.09 82.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.695 0.76 . . . . 0.0 110.939 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.72 21.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.8 -16.99 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -101.8 19.42 18.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.52 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 5.8 p-80 -172.83 134.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.595 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.99 88.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 48' ' ' HIS . 5.3 t -101.52 98.21 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -92.17 35.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 5.5 t80 -96.3 109.75 22.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.62 89.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 52' ' ' PHE . 60.1 m-85 -81.76 -51.73 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -84.35 140.86 31.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -78.94 130.61 35.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -41.35 99.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.65 -122.05 0.6 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 m -42.15 105.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.84 -162.69 28.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.69 28.56 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.731 2.288 . . . . 0.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.0 m -155.3 161.76 41.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.4 m -113.52 154.87 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.505 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -67.54 89.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -121.18 139.17 53.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.6 -169.61 26.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -82.14 46.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -84.05 -45.29 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.98 108.65 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -37.96 8.5 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.658 2.238 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -156.96 160.67 39.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -119.61 140.55 29.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -163.42 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.379 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -76.83 46.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -62.17 151.34 81.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 17' ' ' ARG . 16.3 m120 -89.37 -26.56 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.487 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -53.82 86.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.558 ' N ' HG22 ' A' ' 25' ' ' VAL . 15.3 mtt180 -172.66 153.09 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.8 t -85.83 134.73 33.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 55.5 t80 -81.56 22.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -134.77 -43.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.1 p -118.14 -6.01 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 64.21 24.98 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HE2' ' CB ' ' A' ' 39' ' ' CYS . 9.0 ttpt -82.99 111.91 19.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 9.6 ptpt -41.56 114.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.742 HG21 HG22 ' A' ' 37' ' ' THR . 31.3 m -99.27 26.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.57 -141.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.1 m -102.37 27.86 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.8 mmt -134.92 32.21 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.02 178.08 52.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.434 ' CD2' ' HA2' ' A' ' 40' ' ' GLY . 37.0 m-85 -109.68 100.19 9.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -82.95 120.07 25.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.8 t -78.97 154.12 29.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -50.41 -31.3 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.9 p -63.36 -35.75 81.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.16 33.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.556 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 1.9 m -119.44 148.58 43.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.012 0.434 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.742 HG22 HG21 ' A' ' 25' ' ' VAL . 8.2 m -99.72 137.91 37.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.637 ' CZ ' ' ND1' ' A' ' 48' ' ' HIS . 45.3 m-85 -138.11 163.57 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.489 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 15.0 p -93.09 34.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' HA2' ' CD2' ' A' ' 30' ' ' PHE . . . 78.67 -47.43 3.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -69.29 -24.96 64.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 119.334 -0.365 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 17.1 m170 -117.52 22.38 12.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -72.33 -16.84 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -76.25 149.02 81.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.695 0.76 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -34.35 14.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.31 -19.24 65.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.36 18.57 18.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.637 ' ND1' ' CZ ' ' A' ' 38' ' ' PHE . 3.7 p-80 -171.6 126.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.594 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -45.41 89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 48' ' ' HIS . 13.4 t -98.06 106.44 18.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.2 p -86.59 33.46 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -103.53 146.74 28.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.34 82.87 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -56.62 -42.11 78.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -54.0 108.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -50.01 133.8 22.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.43 147.8 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.01 -158.36 27.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -96.41 123.28 40.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.07 -98.03 0.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.76 52.19 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.732 2.288 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.5 p -134.76 148.48 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 m -108.04 147.28 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.474 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -137.24 162.41 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -102.49 -55.57 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.43 137.03 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -76.7 102.69 6.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.896 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -160.03 122.51 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.55 69.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -6.85 19.56 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.246 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -80.74 147.7 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -40.9 150.5 0.29 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.636 0.731 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -163.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 m -82.18 39.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -69.66 -60.01 4.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.9 Cg_endo -69.74 146.74 61.27 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.258 . . . . 0.0 112.399 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -111.92 22.23 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -91.12 85.97 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.526 ' N ' HG22 ' A' ' 25' ' ' VAL . 16.2 mtt180 -171.57 157.67 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.8 t -92.1 134.09 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 51.8 t80 -81.63 22.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.494 ' HB2' ' CG ' ' A' ' 42' ' ' HIS . 1.8 m -133.62 -39.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -124.17 -5.13 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.02 24.97 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -80.99 109.13 15.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 48.3 pttt -42.24 109.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.621 HG21 HG22 ' A' ' 37' ' ' THR . 16.0 m -94.28 17.89 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.38 -137.39 1.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -98.9 26.37 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 45.9 mtt -132.92 39.21 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.87 167.89 28.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -103.85 100.37 10.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.386 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -80.0 121.17 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.13 156.19 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -52.39 -30.4 28.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -63.27 -37.43 87.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.64 30.81 2.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 5.3 m -118.75 152.16 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.008 0.432 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.621 HG22 HG21 ' A' ' 25' ' ' VAL . 21.4 m -102.38 140.61 36.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.658 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 43.9 m-85 -139.2 164.85 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 10.3 p -98.68 37.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.05 -49.47 3.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -66.72 -23.37 66.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 119.35 -0.357 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.591 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 21.4 m80 -121.18 24.42 10.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.577 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -74.41 -18.95 60.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 32.3 m-85 -75.2 148.29 83.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.68 0.752 . . . . 0.0 110.943 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 -30.4 22.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -72.42 -19.2 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -100.24 20.56 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.658 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.0 p-80 -172.28 134.09 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.545 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.6 mp0 -49.06 87.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' HIS . 8.9 t -98.37 107.89 20.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 p -93.2 33.58 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 27.9 t80 -92.27 150.63 20.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 8.2 p-10 -104.22 68.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 52' ' ' PHE . 69.5 m-85 -59.46 -41.49 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -105.82 113.86 27.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -79.72 90.89 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -93.18 95.35 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.13 58.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.7 t -85.48 -44.08 13.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.942 0.401 . . . . 0.0 110.921 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -179.03 17.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 102.53 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.5 m -130.78 123.32 28.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.6 t -83.26 84.24 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.513 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -162.79 163.36 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.824 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -158.76 134.74 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.98 122.77 1.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -149.69 133.76 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 p -153.24 166.41 32.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.17 75.36 1.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 92.75 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 m -104.85 152.4 22.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -132.34 133.53 23.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -166.23 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.308 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.5 m -84.17 34.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.503 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 4.3 mmt85 -70.02 -59.94 3.96 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.7 Cg_endo -69.77 123.26 9.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -114.79 -26.88 7.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -54.37 84.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' N ' HG22 ' A' ' 25' ' ' VAL . 15.0 mtt180 -171.66 145.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t -77.9 136.45 38.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.4 t80 -83.86 23.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.443 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.14 -41.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 p -122.35 -4.19 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 m120 64.62 24.95 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -80.86 106.3 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -36.66 119.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.782 HG21 HG22 ' A' ' 37' ' ' THR . 27.6 m -106.15 28.09 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.39 -144.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -99.9 27.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 53.2 mmm -134.94 31.27 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.19 177.85 54.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -109.75 101.58 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -82.56 123.66 29.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 42.8 t -83.29 162.09 21.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 16.0 mtmm -56.71 -29.7 62.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.66 -36.21 83.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.99 31.48 2.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.8 m -117.1 150.15 39.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.891 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.782 HG22 HG21 ' A' ' 25' ' ' VAL . 11.4 m -99.07 137.21 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.705 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 37.9 m-85 -137.27 162.84 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.7 p -94.6 36.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.75 -47.42 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.0 m -68.93 -24.89 64.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 18.1 m170 -119.41 24.9 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.581 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -74.12 -17.45 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -75.36 149.26 84.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.74 12.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -66.27 -19.82 65.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -99.44 20.94 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.705 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 3.1 p-80 -174.02 125.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.634 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -42.89 91.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' HIS . 10.4 t -102.1 106.86 17.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.6 m -95.1 36.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 4.7 t80 -98.06 133.01 43.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.77 86.17 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -67.0 -47.72 70.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -60.82 172.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -142.94 118.29 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t -142.38 133.63 25.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.73 101.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.54 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -148.13 167.82 24.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.399 . . . . 0.0 110.846 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.93 -127.78 5.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 122.24 8.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 m -53.94 157.34 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.2 t -96.57 151.56 19.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.518 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -126.79 122.87 36.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -87.85 141.35 28.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.96 -163.6 54.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 p -113.95 -46.43 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m 58.19 40.85 24.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.92 -166.02 12.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 9' ' ' SER . 53.9 Cg_endo -69.71 107.55 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.39 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' PRO . 52.5 p -34.36 -53.0 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.834 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 9.1 tpp180 -105.77 140.19 20.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.718 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.492 ' HD2' ' CD ' ' A' ' 10' ' ' ARG . 53.8 Cg_endo -69.77 -163.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 m -85.75 38.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.491 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 12.6 mmt180 -69.92 -60.12 3.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.7 Cg_endo -69.8 119.53 6.46 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -131.27 26.52 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -95.05 84.62 4.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.563 ' N ' HG22 ' A' ' 25' ' ' VAL . 28.6 mtt-85 -170.57 157.06 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -89.92 133.8 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.0 t80 -81.75 22.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -134.93 -40.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.8 p -122.01 -5.73 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.05 25.02 13.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.486 ' HE3' ' CB ' ' A' ' 39' ' ' CYS . 10.8 ttpp -82.93 110.91 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 6.5 ptmt -40.8 113.61 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.775 HG21 HG22 ' A' ' 37' ' ' THR . 27.5 m -100.56 23.2 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 36.18 -144.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.1 m -99.44 28.39 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mtm -133.79 27.01 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.79 177.04 53.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -108.68 102.38 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -83.75 127.39 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.05 161.1 19.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 22.4 mttm -58.22 -28.1 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.9 p -64.77 -36.47 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.4 31.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 m -120.09 151.66 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.775 HG22 HG21 ' A' ' 25' ' ' VAL . 7.1 m -102.81 137.19 41.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 47.3 m-85 -134.69 166.1 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.486 ' CB ' ' HE3' ' A' ' 23' ' ' LYS . 15.8 p -94.98 32.68 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.45 -41.87 2.34 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 m -75.53 -22.28 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 119.372 -0.347 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 17.5 m170 -120.95 22.78 10.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.456 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -75.12 -11.5 60.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.409 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 53.6 m-85 -79.07 148.91 72.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.752 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.81 -33.4 16.49 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.374 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.67 -18.03 63.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -100.62 16.13 25.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.615 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.0 p-80 -169.84 128.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.612 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -46.03 89.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' HIS . 11.2 t -98.67 112.18 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -91.61 33.98 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 6.1 t80 -104.39 147.71 27.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -119.27 80.08 1.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' LYS . 29.0 m-85 -54.59 -39.42 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' PHE . 14.8 ptmt -34.54 -42.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -78.08 79.69 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.7 t -84.83 140.52 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.76 80.56 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.443 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 60' ' ' GLY . 4.7 t -127.04 -45.33 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 59' ' ' SER . . . -34.43 144.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.59 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.6 m -116.02 -51.26 2.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.9 m 60.83 42.55 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.514 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p 43.26 42.29 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -122.11 -61.55 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.72 166.26 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -164.58 132.99 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -154.17 163.13 40.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.77 102.96 2.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 91.46 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.0 p -58.94 -48.62 80.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 25.2 mtm105 -65.41 153.66 89.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -167.05 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 12' ' ' VAL . 25.0 m -77.1 49.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -117.21 63.94 3.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 5.01 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -84.93 27.36 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -96.6 82.67 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.611 ' N ' HG22 ' A' ' 25' ' ' VAL . 34.8 mtt-85 -168.3 154.39 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 42.0 t -86.09 135.94 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 57.1 t80 -83.47 23.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.448 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.6 m -134.58 -43.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 p -121.61 -3.9 9.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 64.41 24.99 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -80.1 106.48 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 43.0 pttt -37.39 116.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.753 HG21 HG22 ' A' ' 37' ' ' THR . 22.5 m -103.6 24.31 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 32.57 -139.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 m -100.77 28.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 68.6 mmm -134.58 33.64 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.82 172.22 36.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -104.91 109.27 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -89.4 123.76 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 35.8 t -85.44 161.2 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 70.1 mttt -56.32 -27.61 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.5 p -66.24 -33.5 75.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.69 23.8 5.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 12.8 m -110.05 151.66 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.968 0.413 . . . . 0.0 110.83 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.753 HG22 HG21 ' A' ' 25' ' ' VAL . 8.7 m -103.57 137.63 41.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.717 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 37.3 m-85 -134.4 164.54 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 20.9 p -96.17 35.13 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.13 -48.77 3.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -67.86 -24.41 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.834 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.551 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.4 m170 -119.57 22.28 11.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -70.28 -19.8 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -74.17 152.71 88.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.701 0.762 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.82 -44.93 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.613 2.208 . . . . 0.0 112.373 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -59.38 -24.09 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -72.61 -36.15 68.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.717 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 46.1 p-80 -117.8 33.21 5.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.547 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' HIS . 64.2 mt-10 33.46 48.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.43 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 14.5 t -50.1 144.3 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 52' ' ' PHE . 44.3 p -92.25 -36.6 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.5 t80 -37.34 104.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.11 91.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 56' ' ' GLU . 52.2 m-85 -66.03 -45.64 80.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.776 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER 32.89 34.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' PHE . 8.7 pt-20 -46.31 109.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 55' ' ' LYS . 92.8 t -129.9 113.74 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.39 -54.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 t -143.8 154.36 43.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.95 -176.4 45.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 124.54 11.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 t -68.29 88.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -132.13 143.52 50.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.483 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m 54.39 42.26 31.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 p -115.35 100.0 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.47 104.68 2.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 p -165.41 154.58 12.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -62.35 -59.87 4.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . 74.93 93.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.3 Cg_endo -69.79 131.67 21.67 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.302 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.5 t -81.54 -46.6 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.5 148.61 40.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -173.55 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.248 . . . . 0.0 112.38 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 12' ' ' VAL . 34.0 m -78.65 52.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 83.7 mmt-85 -105.4 97.85 15.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.83 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 54.0 Cg_endo -69.8 -178.96 2.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -126.45 27.26 6.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.509 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -96.65 81.63 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.633 ' N ' HG22 ' A' ' 25' ' ' VAL . 24.3 mtt180 -167.33 160.72 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.8 t -90.74 134.12 34.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 55.1 t80 -82.2 22.76 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -134.64 -43.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 p -117.66 -5.86 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 m120 64.35 25.09 13.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HE2' ' SG ' ' A' ' 39' ' ' CYS . 18.9 ttpt -83.24 112.71 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 42.7 pttt -42.2 113.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.731 HG21 HG22 ' A' ' 37' ' ' THR . 31.1 m -99.97 23.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.79 -139.83 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -101.5 26.93 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -132.13 30.72 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.22 173.52 46.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -107.6 103.31 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -86.35 122.84 30.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.4 t -83.79 156.62 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -52.15 -28.51 18.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.5 p -63.39 -34.79 78.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 29.05 3.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.5 m -117.72 148.76 41.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.401 . . . . 0.0 110.885 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.731 HG22 HG21 ' A' ' 25' ' ' VAL . 12.1 m -100.25 139.56 35.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 47.0 m-85 -136.67 165.57 25.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.448 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 19.7 p -95.31 33.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.1 -49.81 3.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.8 m -66.89 -26.08 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -115.81 20.0 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -67.96 -20.74 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -71.63 152.55 93.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 -44.64 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.13 -23.34 63.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -73.88 -35.29 64.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.642 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 40.2 p-80 -118.71 34.21 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.639 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' HIS . 12.5 pt-20 32.72 47.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.455 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 31.1 t -46.92 135.86 8.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.8 m -83.28 -35.29 25.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -39.29 136.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.87 81.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -60.38 -44.04 96.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.598 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.9 ptpt -76.97 127.95 33.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.34 101.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 55' ' ' LYS . 87.7 t -111.78 142.87 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.43 -90.57 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.3 p -64.86 131.7 47.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.18 147.48 5.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.59 13.5 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.4 t -94.36 140.95 29.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -86.43 170.01 12.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.455 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -144.12 155.99 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.828 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 m -137.4 158.76 43.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.31 74.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -102.07 84.68 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -73.64 153.96 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.83 -160.78 28.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.537 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' SER . 54.0 Cg_endo -69.79 -46.11 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' PRO . 76.8 p 37.69 41.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' NH2' ' HD2' ' A' ' 13' ' ' ARG . 8.1 mmm180 -72.75 138.82 80.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -163.2 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.724 2.283 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 12' ' ' VAL . 31.4 m -75.34 47.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 9.3 mtt-85 -61.05 -62.25 6.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.723 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 13' ' ' ARG . 53.6 Cg_endo -69.77 104.56 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 17' ' ' ARG . 89.0 m-20 -89.44 -28.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.504 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -54.93 83.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.603 ' N ' HG22 ' A' ' 25' ' ' VAL . 27.1 mtt180 -168.22 161.89 12.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.2 t -93.1 133.49 36.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 45.8 t80 -81.99 23.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -134.64 -40.69 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.6 p -122.59 -5.05 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m120 64.76 25.0 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -81.39 111.66 17.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 14.1 ptmt -43.92 111.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.637 HG21 HG22 ' A' ' 37' ' ' THR . 16.8 m -96.23 19.34 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 36.15 -133.62 0.72 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.52 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 m -99.71 21.06 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.0 39.95 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.44 161.92 26.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -104.58 97.96 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -78.72 121.37 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 t -82.57 157.22 23.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -51.22 -28.42 11.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.7 p -65.45 -33.5 76.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.12 26.17 4.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 m -113.77 149.18 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.898 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.637 HG22 HG21 ' A' ' 25' ' ' VAL . 21.1 m -99.05 138.79 35.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.66 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 48.8 m-85 -138.42 166.08 25.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.41 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 11.1 p -98.48 37.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.89 -50.96 3.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 m -64.99 -23.81 67.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.557 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.1 m170 -122.08 25.37 9.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -75.0 -19.98 59.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.478 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 35.3 m-85 -72.27 148.68 91.27 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.664 0.745 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.437 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.81 -32.6 18.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.15 -21.02 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -97.55 20.26 12.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.66 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 p-80 -172.76 128.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -43.68 90.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' HIS . 10.3 t -101.18 99.41 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 52' ' ' PHE . 1.9 t -68.11 -35.69 78.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.5 t80 -35.08 105.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.33 84.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CZ ' ' SG ' ' A' ' 50' ' ' CYS . 34.5 m-85 -62.59 -43.37 98.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -99.75 171.99 7.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 65.02 43.29 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.6 t -138.04 121.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.15 -93.1 0.14 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -97.49 122.71 40.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.968 0.413 . . . . 0.0 110.858 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.14 173.36 35.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 142.99 49.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.316 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p -80.82 45.16 0.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.8 t -160.24 153.23 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.511 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.546 -0.221 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -81.46 170.14 16.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.7 p -165.59 144.45 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.18 172.63 36.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -156.52 125.28 5.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -155.06 120.18 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.816 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.6 143.19 19.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 99.83 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.6 p -174.99 149.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -76.83 143.12 70.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.63 0.729 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -165.05 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 m -80.44 42.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -60.03 127.94 86.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -166.82 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -127.54 30.89 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.509 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -98.73 83.89 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 6.4 mtm105 -172.49 152.08 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -89.24 130.88 35.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -79.55 20.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.02 -33.77 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 p -128.85 -4.14 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 60.85 25.0 14.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -82.57 107.01 14.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 39.6 pttt -40.8 110.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.761 HG21 HG22 ' A' ' 37' ' ' THR . 19.4 m -95.6 22.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.6 -137.49 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.1 26.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.6 mmt -134.85 39.15 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.66 171.77 35.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -105.9 99.46 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -79.12 120.37 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -81.22 158.84 24.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -53.28 -32.05 46.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -62.52 -37.09 84.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.61 26.79 3.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 7.1 m -111.31 157.8 19.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.814 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.761 HG22 HG21 ' A' ' 25' ' ' VAL . 9.0 m -107.65 133.92 51.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 51.5 m-85 -134.92 163.97 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 7.8 p -94.34 37.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.81 -49.71 2.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -65.36 -27.57 68.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.81 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.465 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 16.7 m80 -118.18 24.95 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -74.21 -19.92 60.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -70.59 147.38 94.64 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.714 0.769 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.21 26.81 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.225 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.64 -21.47 59.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -95.94 19.99 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.639 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.7 p-80 -172.74 134.62 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -49.43 87.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' HIS . 1.8 t -101.25 113.54 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.2 t -109.11 41.35 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -99.42 146.34 26.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.55 88.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -82.36 -53.7 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -51.15 158.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -132.3 101.56 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.7 t -67.17 107.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.75 39.34 2.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.3 p -101.88 114.29 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.2 170.75 21.29 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 86.59 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 m -143.51 132.61 23.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.9 t -143.04 123.53 13.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.516 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -116.86 107.12 14.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 110.899 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -71.48 -57.93 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.45 144.9 8.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -147.67 112.71 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 t -157.0 118.65 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.92 80.42 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -0.11 6.41 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.741 2.294 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -104.25 145.91 29.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -66.16 152.45 93.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -168.33 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.382 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' VAL . 35.3 m -83.4 51.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -81.24 139.59 48.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 112.62 3.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.97 23.15 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -91.49 80.78 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.683 ' N ' HG22 ' A' ' 25' ' ' VAL . 24.2 mtt180 -166.9 157.65 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.3 t -87.12 134.13 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 53.2 t80 -83.16 22.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -134.42 -39.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 p -121.48 -5.5 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.07 24.97 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HE2' ' CB ' ' A' ' 39' ' ' CYS . 9.8 ttpt -83.44 111.37 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 15.6 pttm -40.03 115.67 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.729 HG21 HG22 ' A' ' 37' ' ' THR . 33.8 m -103.26 24.3 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.77 -144.14 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -100.11 28.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.3 mmm -134.13 27.72 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.04 179.34 52.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 38.2 m-85 -111.15 103.6 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -88.35 121.12 30.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 44.3 t -77.83 162.35 26.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -59.67 -25.53 64.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 p -66.55 -35.96 81.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.05 33.4 1.52 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 2.6 m -122.76 146.15 47.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.935 0.398 . . . . 0.0 110.869 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.729 HG22 HG21 ' A' ' 25' ' ' VAL . 18.4 m -98.16 139.5 33.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.621 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 48.0 m-85 -137.2 167.07 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 14.8 p -95.96 32.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.97 -42.61 2.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -74.51 -20.82 59.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.575 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 15.8 m170 -123.27 23.42 9.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 30' ' ' PHE . 5.9 ptm180 -76.19 -13.94 60.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 45.7 m-85 -75.59 150.57 84.53 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.681 0.753 . . . . 0.0 110.932 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -35.18 12.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.07 -18.39 64.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -102.06 19.15 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.621 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.0 p-80 -172.07 129.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -45.91 89.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 48' ' ' HIS . 10.4 t -99.13 108.29 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -94.84 35.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 1.7 t80 -117.81 151.85 36.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -118.56 81.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -50.11 -38.99 41.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.25 160.95 20.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -102.16 80.57 1.99 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.0 t -75.46 -41.11 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.83 89.02 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -165.73 162.41 18.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.386 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.24 -75.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 159.92 51.62 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.1 m -61.29 153.42 26.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.7 p -129.17 131.12 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.498 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.3 m -148.25 131.87 16.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -110.53 123.34 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.69 62.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -133.8 109.07 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -93.23 168.47 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.12 158.45 26.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 163.32 38.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.5 m -65.63 -59.92 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 17.7 ttp-105 -147.85 138.44 12.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.602 0.715 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.36 46.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 14.9 mmt85 -63.54 159.85 48.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.73 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.511 ' HD2' ' CD ' ' A' ' 13' ' ' ARG . 53.9 Cg_endo -69.78 -175.78 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.353 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -119.82 29.32 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.5 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -97.63 84.17 3.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.544 ' N ' HG22 ' A' ' 25' ' ' VAL . 8.6 mtm180 -169.56 153.43 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 38.6 t -86.96 132.59 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 50.9 t80 -82.22 24.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.489 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.6 m -134.39 -37.98 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 p -125.72 -13.34 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 t30 74.78 25.01 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -81.68 108.54 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 23.3 pttm -41.73 111.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.582 HG21 ' CG2' ' A' ' 37' ' ' THR . 16.8 m -96.81 22.32 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.54 -142.77 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -94.22 27.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.5 mtm -134.97 37.89 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.38 167.66 35.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -109.05 97.96 7.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -80.28 121.49 25.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.4 t -83.11 163.56 20.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -55.25 -33.71 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.7 p -58.8 -25.35 63.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.56 32.43 5.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 17.9 m -122.91 148.68 45.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.983 0.421 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.582 ' CG2' HG21 ' A' ' 25' ' ' VAL . 42.5 m -94.84 140.93 29.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 52.1 m-85 -139.98 165.82 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.432 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.7 p -98.78 36.9 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.02 -48.43 3.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.8 m -67.67 -19.96 65.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 119.358 -0.353 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.587 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.4 m170 -125.04 24.61 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 ptt85 -77.48 -14.38 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.438 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 54.3 m-85 -75.9 145.57 77.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.744 . . . . 0.0 110.92 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.74 -22.88 31.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.268 . . . . 0.0 112.355 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -78.68 -23.04 45.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -96.42 21.76 8.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.59 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 6.1 p-80 -175.03 149.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.597 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -64.69 72.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 48' ' ' HIS . 30.2 t -66.75 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.5 t 38.39 34.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -109.45 129.11 55.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -81.55 88.29 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -63.48 -46.01 88.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -58.92 119.06 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -103.3 162.14 13.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -97.72 137.19 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -107.84 52.04 0.68 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.5 m 44.74 42.24 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.813 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -143.86 140.68 9.66 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.557 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.13 53.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.385 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -116.87 119.57 35.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.4 t -51.43 -56.63 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.515 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -159.22 144.89 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.927 0.394 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 p -85.67 157.56 20.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.55 156.93 33.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -165.53 150.43 8.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 m -144.03 143.61 31.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.19 -147.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.3 p -172.9 155.55 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.486 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 11.3 ttm105 -39.93 140.93 0.83 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 10' ' ' ARG . 53.8 Cg_endo -69.77 -161.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -74.43 46.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.84 118.97 26.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 125.3 12.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -105.7 23.17 14.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.1 p30 -94.17 83.7 4.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.602 ' N ' HG22 ' A' ' 25' ' ' VAL . 2.5 mtt85 -169.77 151.14 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.4 t -83.02 134.43 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.562 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 53.8 t80 -82.77 24.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.449 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.8 m -134.35 -43.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 p -120.46 -9.91 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 71.54 24.98 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -81.2 106.52 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 3.9 ptmm? -37.14 117.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.775 HG21 HG22 ' A' ' 37' ' ' THR . 30.7 m -104.12 25.26 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 32.92 -141.4 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.7 m -100.42 29.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.3 mtm -135.0 31.28 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.98 172.43 47.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.463 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 24.9 m-85 -104.21 99.71 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -81.27 123.38 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.8 t -85.89 158.52 19.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -54.35 -32.73 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.5 p -60.22 -38.11 82.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.8 29.63 2.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.0 m -117.51 150.67 38.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.775 HG22 HG21 ' A' ' 25' ' ' VAL . 8.8 m -102.36 137.22 40.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.612 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 31.3 m-85 -135.31 164.21 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 23.1 p -94.2 33.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.74 -42.03 2.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.3 m -75.1 -20.74 59.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 119.328 -0.367 . . . . 0.0 110.832 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.607 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 15.3 m170 -124.33 25.23 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.573 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -76.98 -16.23 59.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.482 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 46.0 m-85 -74.62 150.38 86.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.705 0.764 . . . . 0.0 110.908 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.77 -20.11 63.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -99.37 19.25 15.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.612 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 4.1 p-80 -172.51 128.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -44.04 90.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' HIS . 5.6 t -102.36 94.24 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' PHE . 34.9 t -64.59 -38.39 90.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' SER . 7.8 t80 -34.36 128.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -88.11 88.6 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.44 -55.26 22.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.18 162.64 23.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -55.88 115.93 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.6 t -93.01 -57.68 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.37 -84.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -62.3 96.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.38 . . . . 0.0 110.813 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -117.59 -94.28 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 2.91 3.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -65.86 -63.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 p -149.06 143.9 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.47 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -141.13 165.52 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.357 . . . . 0.0 110.822 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 p -158.02 171.08 20.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.49 118.87 1.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -134.72 129.09 34.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 m -50.05 166.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.6 138.23 9.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -72.37 170.78 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -108.95 153.76 42.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.548 0.69 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.659 2.24 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 34.9 m -83.68 47.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 -75.16 125.55 88.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -176.5 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.372 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' ARG . 35.2 m120 -106.07 -30.0 9.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.504 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -54.9 83.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' N ' HG22 ' A' ' 25' ' ' VAL . 33.0 mtt-85 -169.26 163.12 10.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.7 t -94.8 134.46 37.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 56.8 t80 -82.22 23.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.464 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.14 -41.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.8 p -121.79 -4.79 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 64.52 25.05 13.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -81.35 112.68 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 18.3 ptmt -44.74 110.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.662 HG21 HG22 ' A' ' 37' ' ' THR . 16.1 m -95.76 20.24 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 37.14 -119.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 m -106.51 -7.97 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.65 39.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.07 151.26 20.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -95.73 110.06 22.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -91.29 117.55 29.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.4 t -78.78 159.13 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -32.35 48.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -61.72 -37.88 85.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.06 30.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.7 m -116.6 148.71 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.951 0.405 . . . . 0.0 110.853 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.662 HG22 HG21 ' A' ' 25' ' ' VAL . 9.6 m -100.72 138.5 37.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.664 ' CZ ' ' ND1' ' A' ' 48' ' ' HIS . 35.6 m-85 -136.44 166.44 23.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.8 p -99.01 36.22 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.3 -50.08 3.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.1 m -66.39 -22.44 66.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.546 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.5 m170 -122.72 24.12 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.608 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -72.43 -20.48 61.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -73.92 152.57 88.85 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.667 0.746 . . . . 0.0 110.929 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.432 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.71 -44.09 2.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.378 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -61.93 -21.19 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -77.13 -33.28 56.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.664 ' ND1' ' CZ ' ' A' ' 38' ' ' PHE . 32.3 p-80 -119.49 32.86 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.616 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 48' ' ' HIS . 33.7 mm-40 33.89 45.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.447 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 46.2 t -41.49 130.76 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 t -79.76 -31.75 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -39.02 149.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.01 81.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -57.18 -40.77 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -104.01 83.95 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 57' ' ' VAL . 13.3 tp10 -64.52 146.21 54.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 56' ' ' GLU . 93.8 t -33.82 147.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.16 88.26 1.79 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.2 p -145.34 149.11 34.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.836 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 174.43 117.07 0.46 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.5 27.4 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.1 t -54.58 132.52 45.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.8 m -84.4 42.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.469 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 m -98.05 123.11 41.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.917 0.389 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -89.66 154.55 19.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.07 59.99 0.19 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -43.93 134.79 4.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -90.32 128.23 36.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.96 152.9 19.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.543 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.21 14.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -91.05 -47.3 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -67.34 139.73 94.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -167.88 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -81.3 49.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmm-85 -109.87 125.57 30.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.71 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -163.92 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -77.06 53.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.5 p30 -95.34 78.53 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.591 ' N ' HG22 ' A' ' 25' ' ' VAL . 15.4 mtt180 -168.25 160.67 11.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 38.3 t -91.32 132.78 35.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 44.3 t80 -82.3 23.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.489 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -133.23 -41.07 0.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.67 -12.69 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 74.2 25.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -82.31 112.87 19.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 23.3 pttm -45.26 111.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.682 HG21 HG22 ' A' ' 37' ' ' THR . 17.6 m -96.21 18.78 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.06 -135.43 1.37 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.34 27.21 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 mmt -134.68 38.96 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.2 172.58 32.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -107.06 100.97 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -82.99 118.46 23.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.5 t -78.65 156.5 29.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 25.3 mttt -53.98 -28.0 34.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.96 -36.59 84.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.19 31.58 1.84 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 m -121.14 150.87 40.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.682 HG22 HG21 ' A' ' 25' ' ' VAL . 16.4 m -101.7 139.04 37.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 47.4 m-85 -137.05 164.59 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.3 p -98.52 40.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.64 -50.67 2.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.7 m -65.88 -22.68 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.522 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 23.3 m170 -122.0 24.11 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -73.44 -20.81 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -73.8 152.39 89.06 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.704 0.764 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.73 -44.45 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.95 -23.25 65.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -75.6 -31.89 60.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 35.6 p-80 -122.14 35.96 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 48' ' ' HIS . 5.3 pt-20 30.4 52.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.449 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 48.2 t -53.49 146.63 12.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -120.61 31.43 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.522 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 46.1 t80 -80.21 162.48 24.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 4.5 p-10 -104.69 61.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 52' ' ' PHE . 64.4 m-85 -57.24 -38.23 73.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.1 mmpt? -101.14 37.21 1.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LYS . 8.2 pt-20 33.71 42.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.65 99.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.58 -169.14 19.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 m -108.58 152.6 24.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.5 155.63 9.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' A' ' 63' ' ' SER . 53.8 Cg_endo -69.71 1.21 4.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.248 . . . . 0.0 112.383 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 t -52.4 86.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 61' ' ' PRO . 78.7 p -119.13 120.21 36.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.833 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.475 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -112.37 -60.34 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.381 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m 46.53 42.43 11.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.87 -47.42 2.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 p -117.44 137.39 52.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -120.84 42.45 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 114.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.48 45.79 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.2 p -173.02 145.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 130.73 72.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -164.29 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.455 ' C ' ' OD1' ' A' ' 15' ' ' ASN . 35.3 m -82.49 42.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.498 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 3.8 mmm180 -71.78 -59.74 2.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.9 Cg_endo -69.7 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.455 ' OD1' ' C ' ' A' ' 12' ' ' VAL . 35.1 m-20 50.47 25.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -96.37 84.98 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.535 ' N ' HG22 ' A' ' 25' ' ' VAL . 9.9 mtt85 -170.82 154.7 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.0 t -87.56 133.15 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 50.4 t80 -81.64 23.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.435 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.58 -39.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.48 -5.13 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.62 25.05 13.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -81.87 109.88 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 5.8 ptpp? -42.68 113.97 0.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.62 HG21 HG22 ' A' ' 37' ' ' THR . 15.7 m -96.81 22.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.62 -129.58 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.3 m -102.99 24.53 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -131.53 44.44 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.25 159.26 21.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -102.21 99.72 9.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -81.08 119.72 23.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.9 t -82.42 159.83 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -53.93 -27.81 33.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.8 p -64.24 -37.01 85.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.2 26.12 3.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.547 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 m -115.0 151.98 33.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.864 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.62 HG22 HG21 ' A' ' 25' ' ' VAL . 22.3 m -102.63 138.68 39.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.65 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 45.4 m-85 -136.36 164.79 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.0 p -96.78 35.23 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.6 -50.87 4.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -65.97 -23.84 66.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.59 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 m170 -121.26 25.12 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -75.92 -18.8 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.434 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 35.5 m-85 -74.31 148.84 86.45 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.702 0.763 . . . . 0.0 110.924 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.7 -33.45 16.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.35 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.76 -18.8 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -100.32 19.38 16.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.65 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.1 p-80 -171.58 129.92 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.573 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -44.89 90.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' HIS . 5.3 t -103.26 96.42 6.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.7 t -92.9 39.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -98.53 135.97 39.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -75.7 83.24 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -69.46 -47.43 64.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt 37.36 51.63 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -114.01 79.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -84.01 41.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.42 -145.07 30.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.1 m -127.01 100.93 6.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.29 -172.83 14.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.21 32.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.7 t -170.26 131.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -38.3 136.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.103 -0.831 . . . . 0.0 112.504 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -128.07 164.68 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p -74.42 120.56 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.52 93.9 0.95 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -98.95 106.08 18.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.826 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -103.91 119.15 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.18 124.69 7.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 97.78 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.0 p -116.09 141.23 48.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 -58.99 143.5 83.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -83.72 45.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 2.6 mmm180 -94.99 108.27 37.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.631 0.729 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 53.8 Cg_endo -69.74 126.9 13.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' ARG . 78.9 m-20 -90.59 -25.07 20.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.509 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 2.0 p30 -57.91 81.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.647 ' N ' HG22 ' A' ' 25' ' ' VAL . 33.7 mtt-85 -166.11 163.41 18.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 34.9 t -92.89 134.68 34.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 51.9 t80 -83.08 23.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -135.0 -42.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 p -120.46 -4.63 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 63.83 25.04 13.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.38 110.17 16.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 13.6 pttp -41.76 112.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.647 HG22 ' N ' ' A' ' 17' ' ' ARG . 19.1 m -98.0 21.91 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.08 -139.16 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 m -97.5 23.63 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.95 34.33 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.87 167.66 35.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -106.6 103.07 12.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -82.27 123.96 29.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.7 t -83.24 157.31 22.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -52.17 -33.17 39.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -61.71 -36.84 82.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.03 29.11 2.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 2.7 m -116.1 149.45 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.954 0.407 . . . . 0.0 110.836 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.645 HG22 HG21 ' A' ' 25' ' ' VAL . 24.3 m -99.81 141.05 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 44.3 m-85 -139.94 166.2 25.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.469 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 12.4 p -96.67 34.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.78 -42.37 2.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.0 m -73.37 -22.24 60.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.588 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.9 m80 -123.87 23.41 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.594 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 5.9 ptm180 -75.39 -18.54 59.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -74.22 152.37 88.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.943 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -44.83 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -62.87 -19.39 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -79.69 -35.28 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.486 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 40.1 p-80 -118.66 35.34 4.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 48' ' ' HIS . 77.2 mm-40 31.1 53.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.458 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 49.8 t -55.1 158.36 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.5 m -130.69 31.62 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' PHE . 38.1 t80 -84.63 106.66 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.84 88.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' PHE . 38.5 m-85 -70.16 -48.04 59.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -95.28 169.65 9.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -153.47 114.68 4.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -96.69 142.21 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.88 179.43 42.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.8 t -62.49 109.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.47 163.37 32.5 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 85.54 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -125.62 80.76 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.9 t -170.82 163.24 7.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.505 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -121.52 146.99 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -168.53 133.45 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.805 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.27 89.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -118.51 -44.75 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -103.44 119.32 38.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.75 -150.04 6.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 160.82 48.28 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -54.73 174.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -46.48 135.0 7.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -170.47 0.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.9 m -81.15 41.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.539 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 3.5 mmm180 -69.02 -57.6 7.38 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.617 0.723 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.6 Cg_endo -69.78 132.64 23.71 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -98.38 25.66 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.519 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -95.48 85.55 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.53 ' N ' HG22 ' A' ' 25' ' ' VAL . 18.7 mtm180 -169.4 151.57 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.5 t -87.4 131.27 34.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 46.7 t80 -80.77 24.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.42 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.19 -38.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.3 p -125.89 -13.01 6.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t30 74.86 25.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.81 109.02 15.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 7.2 ptmm? -41.32 111.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.73 HG21 HG22 ' A' ' 37' ' ' THR . 25.5 m -96.52 22.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.38 -135.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -100.98 24.95 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.7 mmm -131.57 38.21 3.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.36 168.06 29.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.452 ' CE1' ' CZ ' ' A' ' 43' ' ' ARG . 27.2 m-85 -106.48 99.73 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -79.7 131.67 36.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.76 161.71 14.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 19.2 mmtm -55.87 -30.31 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.96 -35.02 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.39 28.14 3.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -114.05 151.69 32.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.73 HG22 HG21 ' A' ' 25' ' ' VAL . 10.1 m -103.79 135.42 45.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 47.9 m-85 -133.27 165.47 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.438 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.4 p -96.78 35.49 1.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.39 -48.36 2.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 m -68.48 -19.88 64.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 119.391 -0.338 . . . . 0.0 110.886 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.608 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 12.2 m170 -125.52 25.53 7.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CZ ' ' CE1' ' A' ' 30' ' ' PHE . 6.2 ptm180 -79.25 -11.09 59.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 67.3 m-85 -77.83 147.99 75.06 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.672 0.749 . . . . 0.0 110.897 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' HIS . 54.6 Cg_endo -69.68 -28.47 25.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -75.46 -20.15 59.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.53 15.57 22.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.514 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.9 p-80 -168.2 134.97 2.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 109.579 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -50.18 86.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 48' ' ' HIS . 4.4 t -97.25 113.25 24.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.2 p -103.59 34.77 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 23.5 t80 -99.83 144.98 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.62 83.94 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -62.2 -45.65 92.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -53.87 127.21 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -108.96 127.53 54.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.66 132.33 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.03 -87.47 0.12 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m -154.89 136.46 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.67 146.01 4.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 101.92 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.325 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 t -77.94 -54.21 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -152.78 158.14 41.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.49 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -166.23 175.79 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 110.846 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -169.83 151.35 4.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.29 167.16 12.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -168.36 122.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.833 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -132.74 165.55 24.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.77 103.5 0.17 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 86.36 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.723 2.282 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -100.29 120.96 40.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mtm105 -76.85 135.94 67.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -171.31 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.276 . . . . 0.0 112.375 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 12' ' ' VAL . 33.4 m -80.27 45.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -71.84 158.15 88.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.73 28.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -94.81 27.66 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -100.85 79.6 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.679 ' N ' HG22 ' A' ' 25' ' ' VAL . 24.8 mtt180 -163.88 163.44 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 35.3 t -90.13 133.26 34.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 54.5 t80 -83.21 24.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.497 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.7 -44.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 p -116.8 -13.6 10.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 t30 75.01 24.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -83.04 112.47 19.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 11.8 ptpt -43.77 114.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.679 HG22 ' N ' ' A' ' 17' ' ' ARG . 19.9 m -99.13 21.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 31.74 -138.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -96.64 27.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 29.6 mtm -134.97 40.25 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.73 165.56 23.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -104.39 100.51 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -83.19 123.73 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 t -84.4 157.18 21.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 5.6 mmpt? -53.7 -31.6 48.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -58.15 -37.85 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.61 27.92 2.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 6.4 m -121.17 149.55 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.62 ' CG2' HG21 ' A' ' 25' ' ' VAL . 58.5 m -100.71 142.93 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.626 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 43.4 m-85 -138.28 166.35 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.8 p -97.54 33.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.02 -40.79 2.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -76.48 -16.37 59.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.329 -0.367 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 14.9 m170 -130.33 23.13 5.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.582 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 5.9 ptm180 -72.37 -26.62 61.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -63.53 152.48 85.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.955 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.552 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.81 -33.27 16.73 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.321 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.34 -21.29 59.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 8.04 6.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.626 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 25.6 p-80 -162.45 -175.03 4.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.621 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 49' ' ' GLU . 1.2 pp20? -84.62 51.29 2.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 t -62.88 112.62 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -111.77 39.95 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 33' ' ' LYS . 34.5 t80 -87.76 156.96 19.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 5.1 p-10 -102.09 58.31 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 52' ' ' PHE . 74.2 m-85 -52.7 -40.38 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -42.48 108.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.96 39.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.3 p -89.22 135.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.76 113.38 3.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.2 t -90.92 105.2 17.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -146.34 93.38 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 91.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -42.14 156.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.1 m -45.33 148.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.531 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.4 p -172.55 146.88 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.913 0.387 . . . . 0.0 110.885 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.0 p -172.94 147.21 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.32 -139.87 9.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -156.55 161.89 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -173.3 151.55 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.15 -169.05 31.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 99.18 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.33 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 m -137.79 129.49 28.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -82.72 149.71 60.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -168.61 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m -83.0 27.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.642 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 4.3 mmm180 -63.51 -52.09 62.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.4 Cg_endo -69.78 127.67 14.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -125.45 -27.56 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -57.46 78.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.729 ' N ' HG22 ' A' ' 25' ' ' VAL . 23.8 mtt180 -164.13 163.2 23.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -89.87 133.7 34.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 49.5 t80 -83.39 23.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -134.0 -43.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 p -117.12 -12.94 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.401 ' OD1' ' HD3' ' A' ' 17' ' ' ARG . 6.9 t-20 73.96 24.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HE2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 ttpt -84.2 113.64 21.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 12.4 ptpt -41.84 116.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.762 HG21 HG22 ' A' ' 37' ' ' THR . 27.9 m -102.41 24.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.34 -142.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.9 m -99.57 29.14 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 47.5 mtm -134.66 30.47 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.08 176.36 53.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -111.83 103.3 11.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.955 0.407 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -82.94 118.32 23.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -77.92 155.01 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 1.2 mmpt? -49.28 -31.29 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -64.1 -35.15 79.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.03 32.67 2.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 m -118.29 146.72 44.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.762 HG22 HG21 ' A' ' 25' ' ' VAL . 11.2 m -95.06 136.38 35.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 55.8 m-85 -136.5 164.75 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.417 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 20.2 p -93.23 33.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.2 -46.59 3.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -70.56 -23.87 62.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 119.405 -0.331 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.517 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 21.6 m170 -117.52 21.42 13.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -71.38 -16.91 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.67 147.8 84.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.696 0.76 . . . . 0.0 110.922 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.69 -33.44 16.82 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.87 -20.33 64.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -97.15 17.31 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.625 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.0 p-80 -170.94 126.64 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.619 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -43.62 90.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 48' ' ' HIS . 13.2 t -98.96 109.26 22.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m -88.63 33.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 3.8 t80 -99.52 133.79 43.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.65 87.79 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 55' ' ' LYS . 82.9 m-85 -72.07 -39.58 68.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -33.18 -58.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -52.32 117.22 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.9 p -82.85 137.61 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.32 41.67 0.35 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.0 m -67.36 -54.97 15.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.935 0.397 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 62' ' ' SER . . . -170.78 98.53 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 62' ' ' SER . 53.7 Cg_endo -69.76 11.24 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.508 ' C ' ' O ' ' A' ' 61' ' ' PRO . 49.1 p -28.98 -47.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -62.64 127.86 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.516 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.553 ' N ' HG22 ' A' ' 25' ' ' VAL . 25.5 mtt-85 -172.06 153.58 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.9 t -86.38 134.12 33.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 54.7 t80 -81.41 21.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -134.29 -41.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.4 p -119.24 -6.18 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 64.08 25.07 13.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -83.52 111.53 19.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 9.3 ptpt -40.81 114.51 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.81 HG21 HG22 ' A' ' 37' ' ' THR . 30.2 m -101.06 23.37 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 37.05 -139.04 0.43 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 m -104.3 23.74 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -128.86 28.78 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.48 178.87 52.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 40' ' ' GLY . 36.2 m-85 -111.06 102.8 11.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -82.84 129.85 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 33.1 t -88.79 159.9 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -54.59 -32.81 59.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.35 -35.06 79.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.62 33.2 1.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.9 m -117.03 150.61 38.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.81 HG22 HG21 ' A' ' 25' ' ' VAL . 7.1 m -102.5 136.11 42.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 50.4 m-85 -134.46 164.58 27.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 15.6 p -91.79 30.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 30' ' ' PHE . . . 80.74 -37.58 2.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.539 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.7 m -79.98 -21.83 43.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.593 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.5 m170 -119.55 21.66 12.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.568 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.483 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.5 ptm180 -73.54 -15.34 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -75.78 147.31 80.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.709 0.766 . . . . 0.0 110.937 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -34.14 15.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.27 -20.45 64.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.484 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.855 0.36 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.541 ' N ' HG22 ' A' ' 25' ' ' VAL . 16.3 mtt180 -171.29 156.34 4.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.1 t -90.29 133.72 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.592 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.0 t80 -81.46 22.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -134.14 -40.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.8 p -123.43 -5.2 8.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.43 25.0 13.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -81.39 109.77 16.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 12.8 pttm -42.3 111.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.72 HG21 HG22 ' A' ' 37' ' ' THR . 17.2 m -95.6 19.32 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 38.48 -136.4 1.04 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.6 23.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 40.7 mtt -130.74 36.92 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.74 168.95 32.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.401 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 25.8 m-85 -105.09 100.44 10.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -81.39 124.58 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.6 t -85.68 160.05 19.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -56.28 -28.49 58.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.72 -37.16 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.18 29.59 2.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.0 m -118.25 153.05 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.882 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.72 HG22 HG21 ' A' ' 25' ' ' VAL . 8.5 m -103.69 137.41 41.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 38.7 m-85 -135.55 164.43 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.1 p -96.72 34.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.25 -44.02 2.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 m -72.31 -18.49 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 119.385 -0.34 . . . . 0.0 110.821 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.615 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 16.7 m170 -128.25 25.6 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -78.36 -15.08 59.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -76.14 150.09 82.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.695 0.76 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.72 21.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.8 -16.99 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.487 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.809 0.337 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.558 ' N ' HG22 ' A' ' 25' ' ' VAL . 15.3 mtt180 -172.66 153.09 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.8 t -85.83 134.73 33.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 55.5 t80 -81.56 22.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -134.77 -43.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.1 p -118.14 -6.01 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 64.21 24.98 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HE2' ' CB ' ' A' ' 39' ' ' CYS . 9.0 ttpt -82.99 111.91 19.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 9.6 ptpt -41.56 114.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.742 HG21 HG22 ' A' ' 37' ' ' THR . 31.3 m -99.27 26.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.57 -141.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.1 m -102.37 27.86 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.8 mmt -134.92 32.21 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.02 178.08 52.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.434 ' CD2' ' HA2' ' A' ' 40' ' ' GLY . 37.0 m-85 -109.68 100.19 9.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -82.95 120.07 25.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.8 t -78.97 154.12 29.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -50.41 -31.3 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.9 p -63.36 -35.75 81.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.16 33.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.556 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 1.9 m -119.44 148.58 43.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.012 0.434 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.742 HG22 HG21 ' A' ' 25' ' ' VAL . 8.2 m -99.72 137.91 37.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 45.3 m-85 -138.11 163.57 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.489 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 15.0 p -93.09 34.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.434 ' HA2' ' CD2' ' A' ' 30' ' ' PHE . . . 78.67 -47.43 3.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -69.29 -24.96 64.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 119.334 -0.365 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 17.1 m170 -117.52 22.38 12.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -72.33 -16.84 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -76.25 149.02 81.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.695 0.76 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -34.35 14.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.31 -19.24 65.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.526 ' N ' HG22 ' A' ' 25' ' ' VAL . 16.2 mtt180 -171.57 157.67 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.8 t -92.1 134.09 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 51.8 t80 -81.63 22.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.494 ' HB2' ' CG ' ' A' ' 42' ' ' HIS . 1.8 m -133.62 -39.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -124.17 -5.13 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.02 24.97 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -80.99 109.13 15.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 48.3 pttt -42.24 109.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.621 HG21 HG22 ' A' ' 37' ' ' THR . 16.0 m -94.28 17.89 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.38 -137.39 1.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -98.9 26.37 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 45.9 mtt -132.92 39.21 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.87 167.89 28.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -103.85 100.37 10.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.386 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -80.0 121.17 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.13 156.19 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -30.4 28.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -63.27 -37.43 87.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.64 30.81 2.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 5.3 m -118.75 152.16 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.008 0.432 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.621 HG22 HG21 ' A' ' 25' ' ' VAL . 21.4 m -102.38 140.61 36.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 43.9 m-85 -139.2 164.85 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 10.3 p -98.68 37.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.05 -49.47 3.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -66.72 -23.37 66.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 119.35 -0.357 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.591 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 21.4 m80 -121.18 24.42 10.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.577 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -74.41 -18.95 60.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -75.2 148.29 83.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.68 0.752 . . . . 0.0 110.943 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.4 22.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -72.42 -19.2 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.1 p30 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.57 ' N ' HG22 ' A' ' 25' ' ' VAL . 15.0 mtt180 -171.66 145.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t -77.9 136.45 38.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.4 t80 -83.86 23.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.443 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.14 -41.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 p -122.35 -4.19 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 m120 64.62 24.95 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -80.86 106.3 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -36.66 119.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.782 HG21 HG22 ' A' ' 37' ' ' THR . 27.6 m -106.15 28.09 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.39 -144.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -99.9 27.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 53.2 mmm -134.94 31.27 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.19 177.85 54.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -109.75 101.58 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -82.56 123.66 29.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 42.8 t -83.29 162.09 21.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 16.0 mtmm -56.71 -29.7 62.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.66 -36.21 83.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.99 31.48 2.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.8 m -117.1 150.15 39.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.891 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.782 HG22 HG21 ' A' ' 25' ' ' VAL . 11.4 m -99.07 137.21 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 37.9 m-85 -137.27 162.84 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.7 p -94.6 36.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.75 -47.42 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.0 m -68.93 -24.89 64.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 18.1 m170 -119.41 24.9 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.581 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -74.12 -17.45 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -75.36 149.26 84.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.74 12.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -66.27 -19.82 65.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.563 ' N ' HG22 ' A' ' 25' ' ' VAL . 28.6 mtt-85 -170.57 157.06 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -89.92 133.8 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.0 t80 -81.75 22.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -134.93 -40.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.8 p -122.01 -5.73 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.05 25.02 13.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.486 ' HE3' ' CB ' ' A' ' 39' ' ' CYS . 10.8 ttpp -82.93 110.91 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 6.5 ptmt -40.8 113.61 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.775 HG21 HG22 ' A' ' 37' ' ' THR . 27.5 m -100.56 23.2 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 36.18 -144.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.1 m -99.44 28.39 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mtm -133.79 27.01 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.79 177.04 53.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -108.68 102.38 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -83.75 127.39 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.05 161.1 19.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -58.22 -28.1 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.9 p -64.77 -36.47 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.4 31.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 m -120.09 151.66 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.775 HG22 HG21 ' A' ' 25' ' ' VAL . 7.1 m -102.81 137.19 41.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 47.3 m-85 -134.69 166.1 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.486 ' CB ' ' HE3' ' A' ' 23' ' ' LYS . 15.8 p -94.98 32.68 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.45 -41.87 2.34 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 m -75.53 -22.28 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 119.372 -0.347 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 17.5 m170 -120.95 22.78 10.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.456 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -75.12 -11.5 60.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -79.07 148.91 72.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.752 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -33.4 16.49 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.374 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.67 -18.03 63.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 1.6 p30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.838 0.352 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.611 ' N ' HG22 ' A' ' 25' ' ' VAL . 34.8 mtt-85 -168.3 154.39 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 42.0 t -86.09 135.94 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 57.1 t80 -83.47 23.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.448 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.6 m -134.58 -43.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 p -121.61 -3.9 9.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 64.41 24.99 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -80.1 106.48 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 43.0 pttt -37.39 116.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.753 HG21 HG22 ' A' ' 37' ' ' THR . 22.5 m -103.6 24.31 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 32.57 -139.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 m -100.77 28.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 68.6 mmm -134.58 33.64 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.82 172.22 36.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -104.91 109.27 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -89.4 123.76 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 35.8 t -85.44 161.2 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 70.1 mttt -56.32 -27.61 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.5 p -66.24 -33.5 75.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.69 23.8 5.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 12.8 m -110.05 151.66 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.968 0.413 . . . . 0.0 110.83 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.753 HG22 HG21 ' A' ' 25' ' ' VAL . 8.7 m -103.57 137.63 41.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 37.3 m-85 -134.4 164.54 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 20.9 p -96.17 35.13 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.13 -48.77 3.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -67.86 -24.41 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.834 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.551 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.4 m170 -119.57 22.28 11.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -70.28 -19.8 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -74.17 152.71 88.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.701 0.762 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -44.93 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.613 2.208 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -59.38 -24.09 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.509 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.633 ' N ' HG22 ' A' ' 25' ' ' VAL . 24.3 mtt180 -167.33 160.72 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.8 t -90.74 134.12 34.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 55.1 t80 -82.2 22.76 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -134.64 -43.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 p -117.66 -5.86 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 m120 64.35 25.09 13.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HE2' ' SG ' ' A' ' 39' ' ' CYS . 18.9 ttpt -83.24 112.71 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 42.7 pttt -42.2 113.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.731 HG21 HG22 ' A' ' 37' ' ' THR . 31.1 m -99.97 23.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.79 -139.83 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -101.5 26.93 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -132.13 30.72 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.22 173.52 46.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -107.6 103.31 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -86.35 122.84 30.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.4 t -83.79 156.62 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -52.15 -28.51 18.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.5 p -63.39 -34.79 78.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 29.05 3.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.5 m -117.72 148.76 41.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.401 . . . . 0.0 110.885 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.731 HG22 HG21 ' A' ' 25' ' ' VAL . 12.1 m -100.25 139.56 35.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 47.0 m-85 -136.67 165.57 25.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.448 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 19.7 p -95.31 33.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.1 -49.81 3.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.8 m -66.89 -26.08 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -115.81 20.0 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -67.96 -20.74 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -71.63 152.55 93.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.64 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.13 -23.34 63.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.504 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.4 p30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.603 ' N ' HG22 ' A' ' 25' ' ' VAL . 27.1 mtt180 -168.22 161.89 12.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.2 t -93.1 133.49 36.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 45.8 t80 -81.99 23.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -134.64 -40.69 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.6 p -122.59 -5.05 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m120 64.76 25.0 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -81.39 111.66 17.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 14.1 ptmt -43.92 111.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.637 HG21 HG22 ' A' ' 37' ' ' THR . 16.8 m -96.23 19.34 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 36.15 -133.62 0.72 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.52 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 m -99.71 21.06 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.0 39.95 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.44 161.92 26.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -104.58 97.96 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -78.72 121.37 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 t -82.57 157.22 23.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -51.22 -28.42 11.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.7 p -65.45 -33.5 76.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.12 26.17 4.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 m -113.77 149.18 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.898 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.637 HG22 HG21 ' A' ' 25' ' ' VAL . 21.1 m -99.05 138.79 35.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 48.8 m-85 -138.42 166.08 25.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.41 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 11.1 p -98.48 37.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.89 -50.96 3.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 m -64.99 -23.81 67.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.557 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.1 m170 -122.08 25.37 9.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -75.0 -19.98 59.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -72.27 148.68 91.27 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.664 0.745 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -32.6 18.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.15 -21.02 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.509 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 6.4 mtm105 -172.49 152.08 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' CB ' ' HG ' ' A' ' 21' ' ' CYS . 35.7 t -89.24 130.88 35.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.436 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -79.55 20.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.02 -33.77 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 42' ' ' HIS . 4.5 p -128.85 -4.14 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 60.85 25.0 14.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -82.57 107.01 14.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 39.6 pttt -40.8 110.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.761 HG21 HG22 ' A' ' 37' ' ' THR . 19.4 m -95.6 22.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.6 -137.49 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.1 26.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.6 mmt -134.85 39.15 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.66 171.77 35.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -105.9 99.46 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -79.12 120.37 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -81.22 158.84 24.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -53.28 -32.05 46.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -62.52 -37.09 84.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.61 26.79 3.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 7.1 m -111.31 157.8 19.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.814 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.761 HG22 HG21 ' A' ' 25' ' ' VAL . 9.0 m -107.65 133.92 51.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 51.5 m-85 -134.92 163.97 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 7.8 p -94.34 37.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.81 -49.71 2.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -65.36 -27.57 68.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.81 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.465 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 16.7 m80 -118.18 24.95 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -74.21 -19.92 60.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -70.59 147.38 94.64 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.714 0.769 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.21 26.81 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.225 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.64 -21.47 59.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.809 0.338 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.683 ' N ' HG22 ' A' ' 25' ' ' VAL . 24.2 mtt180 -166.9 157.65 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.3 t -87.12 134.13 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 53.2 t80 -83.16 22.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -134.42 -39.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 p -121.48 -5.5 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.07 24.97 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HE2' ' CB ' ' A' ' 39' ' ' CYS . 9.8 ttpt -83.44 111.37 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 15.6 pttm -40.03 115.67 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.729 HG21 HG22 ' A' ' 37' ' ' THR . 33.8 m -103.26 24.3 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.77 -144.14 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -100.11 28.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.3 mmm -134.13 27.72 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.04 179.34 52.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 38.2 m-85 -111.15 103.6 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -88.35 121.12 30.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 44.3 t -77.83 162.35 26.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -59.67 -25.53 64.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 p -66.55 -35.96 81.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.05 33.4 1.52 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 2.6 m -122.76 146.15 47.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.935 0.398 . . . . 0.0 110.869 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.729 HG22 HG21 ' A' ' 25' ' ' VAL . 18.4 m -98.16 139.5 33.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 48.0 m-85 -137.2 167.07 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 14.8 p -95.96 32.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.97 -42.61 2.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -74.51 -20.82 59.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.575 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 15.8 m170 -123.27 23.42 9.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 30' ' ' PHE . 5.9 ptm180 -76.19 -13.94 60.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -75.59 150.57 84.53 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.681 0.753 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -35.18 12.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.07 -18.39 64.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.776 0.322 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.544 ' N ' HG22 ' A' ' 25' ' ' VAL . 8.6 mtm180 -169.56 153.43 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 38.6 t -86.96 132.59 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 50.9 t80 -82.22 24.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.489 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.6 m -134.39 -37.98 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 p -125.72 -13.34 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 t30 74.78 25.01 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -81.68 108.54 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 23.3 pttm -41.73 111.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.582 HG21 ' CG2' ' A' ' 37' ' ' THR . 16.8 m -96.81 22.32 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.54 -142.77 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -94.22 27.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.5 mtm -134.97 37.89 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.38 167.66 35.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -109.05 97.96 7.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -80.28 121.49 25.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.4 t -83.11 163.56 20.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -55.25 -33.71 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.7 p -58.8 -25.35 63.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.56 32.43 5.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 17.9 m -122.91 148.68 45.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.983 0.421 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.582 ' CG2' HG21 ' A' ' 25' ' ' VAL . 42.5 m -94.84 140.93 29.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 52.1 m-85 -139.98 165.82 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.432 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.7 p -98.78 36.9 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.02 -48.43 3.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.8 m -67.67 -19.96 65.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 119.358 -0.353 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.587 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.4 m170 -125.04 24.61 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 ptt85 -77.48 -14.38 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -75.9 145.57 77.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.744 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -22.88 31.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.268 . . . . 0.0 112.355 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -78.68 -23.04 45.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.1 p30 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.602 ' N ' HG22 ' A' ' 25' ' ' VAL . 2.5 mtt85 -169.77 151.14 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.4 t -83.02 134.43 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.562 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 53.8 t80 -82.77 24.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.449 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.8 m -134.35 -43.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 p -120.46 -9.91 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t30 71.54 24.98 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -81.2 106.52 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 3.9 ptmm? -37.14 117.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.775 HG21 HG22 ' A' ' 37' ' ' THR . 30.7 m -104.12 25.26 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 32.92 -141.4 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.7 m -100.42 29.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.3 mtm -135.0 31.28 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.98 172.43 47.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.463 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 24.9 m-85 -104.21 99.71 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -81.27 123.38 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.8 t -85.89 158.52 19.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -54.35 -32.73 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.5 p -60.22 -38.11 82.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.8 29.63 2.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.0 m -117.51 150.67 38.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.775 HG22 HG21 ' A' ' 25' ' ' VAL . 8.8 m -102.36 137.22 40.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 31.3 m-85 -135.31 164.21 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 23.1 p -94.2 33.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.74 -42.03 2.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.3 m -75.1 -20.74 59.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 119.328 -0.367 . . . . 0.0 110.832 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.607 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 15.3 m170 -124.33 25.23 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.573 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -76.98 -16.23 59.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -74.62 150.38 86.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.705 0.764 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.77 -20.11 63.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.504 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 8.3 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.57 ' N ' HG22 ' A' ' 25' ' ' VAL . 33.0 mtt-85 -169.26 163.12 10.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.7 t -94.8 134.46 37.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 56.8 t80 -82.22 23.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.464 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.14 -41.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.8 p -121.79 -4.79 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 64.52 25.05 13.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -81.35 112.68 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 18.3 ptmt -44.74 110.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.662 HG21 HG22 ' A' ' 37' ' ' THR . 16.1 m -95.76 20.24 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 37.14 -119.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 m -106.51 -7.97 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.65 39.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.07 151.26 20.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -95.73 110.06 22.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -91.29 117.55 29.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.4 t -78.78 159.13 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -32.35 48.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -61.72 -37.88 85.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.06 30.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.7 m -116.6 148.71 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.951 0.405 . . . . 0.0 110.853 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.662 HG22 HG21 ' A' ' 25' ' ' VAL . 9.6 m -100.72 138.5 37.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 35.6 m-85 -136.44 166.44 23.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.8 p -99.01 36.22 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.3 -50.08 3.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.1 m -66.39 -22.44 66.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.546 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.5 m170 -122.72 24.12 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.608 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -72.43 -20.48 61.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -73.92 152.57 88.85 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.667 0.746 . . . . 0.0 110.929 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -44.09 2.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.378 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -61.93 -21.19 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.5 p30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.591 ' N ' HG22 ' A' ' 25' ' ' VAL . 15.4 mtt180 -168.25 160.67 11.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 38.3 t -91.32 132.78 35.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 44.3 t80 -82.3 23.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.489 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -133.23 -41.07 0.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.67 -12.69 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 74.2 25.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -82.31 112.87 19.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 23.3 pttm -45.26 111.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.682 HG21 HG22 ' A' ' 37' ' ' THR . 17.6 m -96.21 18.78 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.06 -135.43 1.37 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.34 27.21 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 mmt -134.68 38.96 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.2 172.58 32.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -107.06 100.97 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -82.99 118.46 23.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.5 t -78.65 156.5 29.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -53.98 -28.0 34.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.96 -36.59 84.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.19 31.58 1.84 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 m -121.14 150.87 40.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.682 HG22 HG21 ' A' ' 25' ' ' VAL . 16.4 m -101.7 139.04 37.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 47.4 m-85 -137.05 164.59 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.3 p -98.52 40.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.64 -50.67 2.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.7 m -65.88 -22.68 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.522 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 23.3 m170 -122.0 24.11 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -73.44 -20.81 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -73.8 152.39 89.06 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.704 0.764 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -44.45 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.95 -23.25 65.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.535 ' N ' HG22 ' A' ' 25' ' ' VAL . 9.9 mtt85 -170.82 154.7 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.0 t -87.56 133.15 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 50.4 t80 -81.64 23.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.435 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.58 -39.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.48 -5.13 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.62 25.05 13.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -81.87 109.88 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 5.8 ptpp? -42.68 113.97 0.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.62 HG21 HG22 ' A' ' 37' ' ' THR . 15.7 m -96.81 22.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.62 -129.58 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.3 m -102.99 24.53 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -131.53 44.44 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.25 159.26 21.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -102.21 99.72 9.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -81.08 119.72 23.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.9 t -82.42 159.83 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -53.93 -27.81 33.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.8 p -64.24 -37.01 85.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.2 26.12 3.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.547 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 m -115.0 151.98 33.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.864 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.62 HG22 HG21 ' A' ' 25' ' ' VAL . 22.3 m -102.63 138.68 39.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 45.4 m-85 -136.36 164.79 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.0 p -96.78 35.23 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.6 -50.87 4.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -65.97 -23.84 66.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.59 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 m170 -121.26 25.12 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -75.92 -18.8 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -74.31 148.84 86.45 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.702 0.763 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -33.45 16.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.35 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.76 -18.8 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.509 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 2.0 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.647 ' N ' HG22 ' A' ' 25' ' ' VAL . 33.7 mtt-85 -166.11 163.41 18.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 34.9 t -92.89 134.68 34.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 51.9 t80 -83.08 23.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -135.0 -42.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 p -120.46 -4.63 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 63.83 25.04 13.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.38 110.17 16.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 13.6 pttp -41.76 112.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.647 HG22 ' N ' ' A' ' 17' ' ' ARG . 19.1 m -98.0 21.91 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.08 -139.16 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 m -97.5 23.63 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.95 34.33 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.87 167.66 35.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -106.6 103.07 12.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -82.27 123.96 29.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.7 t -83.24 157.31 22.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -52.17 -33.17 39.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -61.71 -36.84 82.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.03 29.11 2.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 2.7 m -116.1 149.45 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.954 0.407 . . . . 0.0 110.836 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.645 HG22 HG21 ' A' ' 25' ' ' VAL . 24.3 m -99.81 141.05 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 44.3 m-85 -139.94 166.2 25.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.469 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 12.4 p -96.67 34.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.78 -42.37 2.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.0 m -73.37 -22.24 60.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.588 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.9 m80 -123.87 23.41 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.594 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 5.9 ptm180 -75.39 -18.54 59.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -74.22 152.37 88.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.943 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -44.83 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -62.87 -19.39 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.519 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.53 ' N ' HG22 ' A' ' 25' ' ' VAL . 18.7 mtm180 -169.4 151.57 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.5 t -87.4 131.27 34.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 46.7 t80 -80.77 24.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.42 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.19 -38.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.3 p -125.89 -13.01 6.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t30 74.86 25.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.81 109.02 15.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 7.2 ptmm? -41.32 111.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.73 HG21 HG22 ' A' ' 37' ' ' THR . 25.5 m -96.52 22.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.38 -135.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -100.98 24.95 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.7 mmm -131.57 38.21 3.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.36 168.06 29.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.452 ' CE1' ' CZ ' ' A' ' 43' ' ' ARG . 27.2 m-85 -106.48 99.73 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -79.7 131.67 36.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.76 161.71 14.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -55.87 -30.31 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.96 -35.02 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.39 28.14 3.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -114.05 151.69 32.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.73 HG22 HG21 ' A' ' 25' ' ' VAL . 10.1 m -103.79 135.42 45.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 47.9 m-85 -133.27 165.47 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.438 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.4 p -96.78 35.49 1.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.39 -48.36 2.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 m -68.48 -19.88 64.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 119.391 -0.338 . . . . 0.0 110.886 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.608 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 12.2 m170 -125.52 25.53 7.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CZ ' ' CE1' ' A' ' 30' ' ' PHE . 6.2 ptm180 -79.25 -11.09 59.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -77.83 147.99 75.06 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.672 0.749 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -28.47 25.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -75.46 -20.15 59.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.679 ' N ' HG22 ' A' ' 25' ' ' VAL . 24.8 mtt180 -163.88 163.44 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' SG ' ' ND1' ' A' ' 42' ' ' HIS . 35.3 t -90.13 133.26 34.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 54.5 t80 -83.21 24.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.497 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.7 -44.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 p -116.8 -13.6 10.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 t30 75.01 24.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -83.04 112.47 19.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 11.8 ptpt -43.77 114.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.679 HG22 ' N ' ' A' ' 17' ' ' ARG . 19.9 m -99.13 21.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 31.74 -138.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -96.64 27.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 29.6 mtm -134.97 40.25 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.73 165.56 23.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -104.39 100.51 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -83.19 123.73 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 t -84.4 157.18 21.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -53.7 -31.6 48.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -58.15 -37.85 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.61 27.92 2.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 6.4 m -121.17 149.55 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.62 ' CG2' HG21 ' A' ' 25' ' ' VAL . 58.5 m -100.71 142.93 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 43.4 m-85 -138.28 166.35 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.8 p -97.54 33.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.02 -40.79 2.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -76.48 -16.37 59.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.329 -0.367 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 14.9 m170 -130.33 23.13 5.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.582 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 5.9 ptm180 -72.37 -26.62 61.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -63.53 152.48 85.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.955 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -33.27 16.73 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.321 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.34 -21.29 59.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.729 ' N ' HG22 ' A' ' 25' ' ' VAL . 23.8 mtt180 -164.13 163.2 23.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -89.87 133.7 34.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 49.5 t80 -83.39 23.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -134.0 -43.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 p -117.12 -12.94 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.401 ' OD1' ' HD3' ' A' ' 17' ' ' ARG . 6.9 t-20 73.96 24.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HE2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 ttpt -84.2 113.64 21.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 12.4 ptpt -41.84 116.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.762 HG21 HG22 ' A' ' 37' ' ' THR . 27.9 m -102.41 24.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.34 -142.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.9 m -99.57 29.14 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 47.5 mtm -134.66 30.47 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.08 176.36 53.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -111.83 103.3 11.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.955 0.407 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -82.94 118.32 23.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -77.92 155.01 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -49.28 -31.29 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -64.1 -35.15 79.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.03 32.67 2.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 m -118.29 146.72 44.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.762 HG22 HG21 ' A' ' 25' ' ' VAL . 11.2 m -95.06 136.38 35.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 36' ' ' SER . 55.8 m-85 -136.5 164.75 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.417 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 20.2 p -93.23 33.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.2 -46.59 3.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -70.56 -23.87 62.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 119.405 -0.331 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.517 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 21.6 m170 -117.52 21.42 13.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -71.38 -16.91 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.67 147.8 84.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.696 0.76 . . . . 0.0 110.922 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -33.44 16.82 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.87 -20.33 64.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -94.19 117.03 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -64.08 -54.04 40.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.94 128.97 5.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -137.47 133.13 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -70.5 -64.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.83 104.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -1.78 9.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -111.63 142.14 44.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -82.71 155.71 68.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.563 0.697 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -175.83 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.248 . . . . 0.0 112.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.21 44.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 44.9 mmt-85 -73.96 154.3 88.83 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HB2' ' ND2' ' A' ' 16' ' ' ASN . 53.6 Cg_endo -69.76 -176.1 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -117.76 19.94 13.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.491 ' ND2' ' HB2' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -90.06 85.75 6.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.553 ' N ' HG22 ' A' ' 25' ' ' VAL . 25.5 mtt-85 -172.06 153.58 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.9 t -86.38 134.12 33.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 54.7 t80 -81.41 21.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -134.29 -41.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.4 p -119.24 -6.18 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 64.08 25.07 13.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -83.52 111.53 19.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 9.3 ptpt -40.81 114.51 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.81 HG21 HG22 ' A' ' 37' ' ' THR . 30.2 m -101.06 23.37 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 37.05 -139.04 0.43 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.8 m -104.3 23.74 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -128.86 28.78 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.48 178.87 52.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 40' ' ' GLY . 36.2 m-85 -111.06 102.8 11.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -82.84 129.85 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 33.1 t -88.79 159.9 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -54.59 -32.81 59.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.35 -35.06 79.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.62 33.2 1.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.9 m -117.03 150.61 38.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.81 HG22 HG21 ' A' ' 25' ' ' VAL . 7.1 m -102.5 136.11 42.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 50.4 m-85 -134.46 164.58 27.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 15.6 p -91.79 30.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 30' ' ' PHE . . . 80.74 -37.58 2.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.539 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.7 m -79.98 -21.83 43.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.593 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.5 m170 -119.55 21.66 12.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.568 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.483 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.5 ptm180 -73.54 -15.34 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 41.4 m-85 -75.78 147.31 80.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.709 0.766 . . . . 0.0 110.937 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -34.14 15.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.27 -20.45 64.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -98.37 17.85 17.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.622 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.0 p-80 -172.25 124.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.53 91.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' HIS . 7.5 t -103.83 96.36 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' PHE . 21.6 m -59.1 -37.3 76.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.1 t80 -36.92 138.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.18 86.04 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' LYS . 90.8 m-85 -66.47 -48.34 70.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' PHE . 43.0 mttt -34.7 141.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -52.28 170.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.2 p -45.72 144.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.56 -63.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.6 m -55.36 170.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.88 -78.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.15 19.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t -63.64 137.95 58.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -149.96 144.46 25.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.496 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -154.92 132.85 11.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 110.892 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -107.25 112.38 25.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.98 70.77 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.559 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -168.92 128.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -155.97 133.17 10.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.81 163.63 34.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 122.16 8.84 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -123.24 90.56 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -48.03 151.68 1.64 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.613 0.721 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -166.84 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -84.23 33.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 15.0 mmt180 -65.56 -60.03 8.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.7 Cg_endo -69.73 136.16 32.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.646 2.231 . . . . 0.0 112.366 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -132.48 25.22 4.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.484 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -94.06 85.37 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.541 ' N ' HG22 ' A' ' 25' ' ' VAL . 16.3 mtt180 -171.29 156.34 4.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.1 t -90.29 133.72 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.592 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.0 t80 -81.46 22.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -134.14 -40.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.8 p -123.43 -5.2 8.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.43 25.0 13.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -81.39 109.77 16.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 12.8 pttm -42.3 111.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.72 HG21 HG22 ' A' ' 37' ' ' THR . 17.2 m -95.6 19.32 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 38.48 -136.4 1.04 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.6 23.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 40.7 mtt -130.74 36.92 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.74 168.95 32.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 25.8 m-85 -105.09 100.44 10.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -81.39 124.58 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.6 t -85.68 160.05 19.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 89.1 mttt -56.28 -28.49 58.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.72 -37.16 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.18 29.59 2.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.0 m -118.25 153.05 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.882 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.72 HG22 HG21 ' A' ' 25' ' ' VAL . 8.5 m -103.69 137.41 41.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 38.7 m-85 -135.55 164.43 27.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.1 p -96.72 34.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.25 -44.02 2.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 m -72.31 -18.49 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 119.385 -0.34 . . . . 0.0 110.821 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.615 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 16.7 m170 -128.25 25.6 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -78.36 -15.08 59.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.471 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 44.6 m-85 -76.14 150.09 82.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.695 0.76 . . . . 0.0 110.939 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.72 21.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.8 -16.99 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -101.8 19.42 18.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.52 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 5.8 p-80 -172.83 134.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.595 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.99 88.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 48' ' ' HIS . 5.3 t -101.52 98.21 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -92.17 35.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 5.5 t80 -96.3 109.75 22.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.62 89.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 52' ' ' PHE . 60.1 m-85 -81.76 -51.73 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -84.35 140.86 31.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -78.94 130.61 35.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.7 t -41.35 99.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.65 -122.05 0.6 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 m -42.15 105.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.84 -162.69 28.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.69 28.56 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.731 2.288 . . . . 0.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.0 m -155.3 161.76 41.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.4 m -113.52 154.87 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.505 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -67.54 89.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -121.18 139.17 53.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.6 -169.61 26.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -82.14 46.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -84.05 -45.29 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.98 108.65 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -37.96 8.5 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.658 2.238 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -156.96 160.67 39.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -119.61 140.55 29.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -163.42 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.379 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -76.83 46.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -62.17 151.34 81.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 17' ' ' ARG . 16.3 m120 -89.37 -26.56 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.487 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -53.82 86.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.558 ' N ' HG22 ' A' ' 25' ' ' VAL . 15.3 mtt180 -172.66 153.09 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.8 t -85.83 134.73 33.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 55.5 t80 -81.56 22.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -134.77 -43.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.1 p -118.14 -6.01 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 64.21 24.98 13.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HE2' ' CB ' ' A' ' 39' ' ' CYS . 9.0 ttpt -82.99 111.91 19.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 9.6 ptpt -41.56 114.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.742 HG21 HG22 ' A' ' 37' ' ' THR . 31.3 m -99.27 26.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.57 -141.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.1 m -102.37 27.86 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.8 mmt -134.92 32.21 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.02 178.08 52.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.434 ' CD2' ' HA2' ' A' ' 40' ' ' GLY . 37.0 m-85 -109.68 100.19 9.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -82.95 120.07 25.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.8 t -78.97 154.12 29.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -50.41 -31.3 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.9 p -63.36 -35.75 81.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.16 33.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.556 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 1.9 m -119.44 148.58 43.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.012 0.434 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.742 HG22 HG21 ' A' ' 25' ' ' VAL . 8.2 m -99.72 137.91 37.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.637 ' CZ ' ' ND1' ' A' ' 48' ' ' HIS . 45.3 m-85 -138.11 163.57 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.489 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 15.0 p -93.09 34.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' HA2' ' CD2' ' A' ' 30' ' ' PHE . . . 78.67 -47.43 3.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -69.29 -24.96 64.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 119.334 -0.365 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 17.1 m170 -117.52 22.38 12.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -72.33 -16.84 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -76.25 149.02 81.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.695 0.76 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -34.35 14.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.31 -19.24 65.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.36 18.57 18.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.637 ' ND1' ' CZ ' ' A' ' 38' ' ' PHE . 3.7 p-80 -171.6 126.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.594 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -45.41 89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 48' ' ' HIS . 13.4 t -98.06 106.44 18.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.2 p -86.59 33.46 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -103.53 146.74 28.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.34 82.87 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -56.62 -42.11 78.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -54.0 108.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -50.01 133.8 22.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.43 147.8 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.01 -158.36 27.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -96.41 123.28 40.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.07 -98.03 0.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.76 52.19 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.732 2.288 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.5 p -134.76 148.48 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 m -108.04 147.28 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.474 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -137.24 162.41 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -102.49 -55.57 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.43 137.03 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -76.7 102.69 6.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.896 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -160.03 122.51 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.55 69.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -6.85 19.56 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.246 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -80.74 147.7 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -40.9 150.5 0.29 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.636 0.731 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -163.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 m -82.18 39.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -69.66 -60.01 4.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.9 Cg_endo -69.74 146.74 61.27 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.258 . . . . 0.0 112.399 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -111.92 22.23 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -91.12 85.97 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.526 ' N ' HG22 ' A' ' 25' ' ' VAL . 16.2 mtt180 -171.57 157.67 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.8 t -92.1 134.09 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 51.8 t80 -81.63 22.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.494 ' HB2' ' CG ' ' A' ' 42' ' ' HIS . 1.8 m -133.62 -39.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 p -124.17 -5.13 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.02 24.97 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -80.99 109.13 15.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 48.3 pttt -42.24 109.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.621 HG21 HG22 ' A' ' 37' ' ' THR . 16.0 m -94.28 17.89 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.38 -137.39 1.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -98.9 26.37 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 45.9 mtt -132.92 39.21 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.87 167.89 28.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -103.85 100.37 10.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.386 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -80.0 121.17 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.13 156.19 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -52.39 -30.4 28.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -63.27 -37.43 87.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.64 30.81 2.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 5.3 m -118.75 152.16 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.008 0.432 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.621 HG22 HG21 ' A' ' 25' ' ' VAL . 21.4 m -102.38 140.61 36.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.658 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 43.9 m-85 -139.2 164.85 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 10.3 p -98.68 37.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.05 -49.47 3.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -66.72 -23.37 66.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 119.35 -0.357 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.591 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 21.4 m80 -121.18 24.42 10.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.577 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -74.41 -18.95 60.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 32.3 m-85 -75.2 148.29 83.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.68 0.752 . . . . 0.0 110.943 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 -30.4 22.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -72.42 -19.2 61.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -100.24 20.56 14.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.658 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.0 p-80 -172.28 134.09 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.545 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.6 mp0 -49.06 87.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' HIS . 8.9 t -98.37 107.89 20.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 p -93.2 33.58 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 27.9 t80 -92.27 150.63 20.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 8.2 p-10 -104.22 68.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 52' ' ' PHE . 69.5 m-85 -59.46 -41.49 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -105.82 113.86 27.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -79.72 90.89 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.8 t -93.18 95.35 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.13 58.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.7 t -85.48 -44.08 13.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.942 0.401 . . . . 0.0 110.921 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -179.03 17.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 102.53 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.5 m -130.78 123.32 28.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.6 t -83.26 84.24 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.513 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -162.79 163.36 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.824 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -158.76 134.74 8.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.98 122.77 1.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -149.69 133.76 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 p -153.24 166.41 32.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.17 75.36 1.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 92.75 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 m -104.85 152.4 22.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -132.34 133.53 23.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -166.23 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.308 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.5 m -84.17 34.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.503 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 4.3 mmt85 -70.02 -59.94 3.96 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.7 Cg_endo -69.77 123.26 9.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -114.79 -26.88 7.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.1 p30 -54.37 84.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' N ' HG22 ' A' ' 25' ' ' VAL . 15.0 mtt180 -171.66 145.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t -77.9 136.45 38.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.4 t80 -83.86 23.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.443 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.14 -41.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 p -122.35 -4.19 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 m120 64.62 24.95 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -80.86 106.3 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -36.66 119.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.782 HG21 HG22 ' A' ' 37' ' ' THR . 27.6 m -106.15 28.09 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.39 -144.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -99.9 27.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 53.2 mmm -134.94 31.27 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.19 177.85 54.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -109.75 101.58 10.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -82.56 123.66 29.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 42.8 t -83.29 162.09 21.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 16.0 mtmm -56.71 -29.7 62.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 p -65.66 -36.21 83.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.99 31.48 2.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.8 m -117.1 150.15 39.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.891 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.782 HG22 HG21 ' A' ' 25' ' ' VAL . 11.4 m -99.07 137.21 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.705 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 37.9 m-85 -137.27 162.84 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.7 p -94.6 36.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.75 -47.42 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.0 m -68.93 -24.89 64.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 18.1 m170 -119.41 24.9 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.581 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -74.12 -17.45 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -75.36 149.26 84.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.749 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.74 12.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -66.27 -19.82 65.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -99.44 20.94 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.705 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 3.1 p-80 -174.02 125.65 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.634 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -42.89 91.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' HIS . 10.4 t -102.1 106.86 17.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.6 m -95.1 36.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 4.7 t80 -98.06 133.01 43.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.77 86.17 4.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -67.0 -47.72 70.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -60.82 172.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -142.94 118.29 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t -142.38 133.63 25.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.73 101.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.54 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -148.13 167.82 24.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.399 . . . . 0.0 110.846 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.93 -127.78 5.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 122.24 8.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 m -53.94 157.34 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.2 t -96.57 151.56 19.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.518 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -126.79 122.87 36.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -87.85 141.35 28.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.96 -163.6 54.29 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 p -113.95 -46.43 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m 58.19 40.85 24.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.92 -166.02 12.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 9' ' ' SER . 53.9 Cg_endo -69.71 107.55 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.39 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' PRO . 52.5 p -34.36 -53.0 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.834 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 9.1 tpp180 -105.77 140.19 20.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.718 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.492 ' HD2' ' CD ' ' A' ' 10' ' ' ARG . 53.8 Cg_endo -69.77 -163.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 m -85.75 38.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.491 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 12.6 mmt180 -69.92 -60.12 3.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.7 Cg_endo -69.8 119.53 6.46 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -131.27 26.52 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -95.05 84.62 4.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.563 ' N ' HG22 ' A' ' 25' ' ' VAL . 28.6 mtt-85 -170.57 157.06 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.0 t -89.92 133.8 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 52.0 t80 -81.75 22.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -134.93 -40.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.8 p -122.01 -5.73 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.05 25.02 13.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.486 ' HE3' ' CB ' ' A' ' 39' ' ' CYS . 10.8 ttpp -82.93 110.91 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 6.5 ptmt -40.8 113.61 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.775 HG21 HG22 ' A' ' 37' ' ' THR . 27.5 m -100.56 23.2 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 36.18 -144.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.1 m -99.44 28.39 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.4 mtm -133.79 27.01 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.79 177.04 53.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -108.68 102.38 11.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -83.75 127.39 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.05 161.1 19.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 22.4 mttm -58.22 -28.1 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.9 p -64.77 -36.47 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.4 31.9 1.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 m -120.09 151.66 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.775 HG22 HG21 ' A' ' 25' ' ' VAL . 7.1 m -102.81 137.19 41.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 47.3 m-85 -134.69 166.1 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.486 ' CB ' ' HE3' ' A' ' 23' ' ' LYS . 15.8 p -94.98 32.68 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.45 -41.87 2.34 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 m -75.53 -22.28 57.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 119.372 -0.347 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 17.5 m170 -120.95 22.78 10.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.456 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -75.12 -11.5 60.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.409 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 53.6 m-85 -79.07 148.91 72.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.752 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.81 -33.4 16.49 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.374 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.67 -18.03 63.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -100.62 16.13 25.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.615 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.0 p-80 -169.84 128.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.612 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -46.03 89.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 48' ' ' HIS . 11.2 t -98.67 112.18 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -91.61 33.98 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 53' ' ' ASP . 6.1 t80 -104.39 147.71 27.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.447 ' N ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -119.27 80.08 1.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' LYS . 29.0 m-85 -54.59 -39.42 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' PHE . 14.8 ptmt -34.54 -42.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -78.08 79.69 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.7 t -84.83 140.52 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.76 80.56 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.443 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 60' ' ' GLY . 4.7 t -127.04 -45.33 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 59' ' ' SER . . . -34.43 144.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.59 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.6 m -116.02 -51.26 2.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.9 m 60.83 42.55 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.514 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p 43.26 42.29 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -122.11 -61.55 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.72 166.26 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -164.58 132.99 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -154.17 163.13 40.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.77 102.96 2.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 91.46 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.0 p -58.94 -48.62 80.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 25.2 mtm105 -65.41 153.66 89.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -167.05 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 12' ' ' VAL . 25.0 m -77.1 49.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 24.1 mmt180 -117.21 63.94 3.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 5.01 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -84.93 27.36 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 13' ' ' ARG . 1.6 p30 -96.6 82.67 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.611 ' N ' HG22 ' A' ' 25' ' ' VAL . 34.8 mtt-85 -168.3 154.39 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 42.0 t -86.09 135.94 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 57.1 t80 -83.47 23.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.448 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.6 m -134.58 -43.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 p -121.61 -3.9 9.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 64.41 24.99 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -80.1 106.48 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 43.0 pttt -37.39 116.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.753 HG21 HG22 ' A' ' 37' ' ' THR . 22.5 m -103.6 24.31 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 32.57 -139.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 m -100.77 28.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 68.6 mmm -134.58 33.64 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.82 172.22 36.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -104.91 109.27 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -89.4 123.76 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 35.8 t -85.44 161.2 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 70.1 mttt -56.32 -27.61 56.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.5 p -66.24 -33.5 75.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.69 23.8 5.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 12.8 m -110.05 151.66 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.968 0.413 . . . . 0.0 110.83 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.753 HG22 HG21 ' A' ' 25' ' ' VAL . 8.7 m -103.57 137.63 41.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.717 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 37.3 m-85 -134.4 164.54 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 20.9 p -96.17 35.13 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.13 -48.77 3.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -67.86 -24.41 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.834 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.551 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.4 m170 -119.57 22.28 11.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -70.28 -19.8 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -74.17 152.71 88.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.701 0.762 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.4 Cg_endo -69.82 -44.93 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.613 2.208 . . . . 0.0 112.373 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -59.38 -24.09 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -72.61 -36.15 68.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.717 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 46.1 p-80 -117.8 33.21 5.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.547 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' HIS . 64.2 mt-10 33.46 48.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.43 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 14.5 t -50.1 144.3 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 52' ' ' PHE . 44.3 p -92.25 -36.6 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.5 t80 -37.34 104.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.11 91.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 56' ' ' GLU . 52.2 m-85 -66.03 -45.64 80.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.776 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER 32.89 34.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' PHE . 8.7 pt-20 -46.31 109.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 55' ' ' LYS . 92.8 t -129.9 113.74 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.39 -54.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 t -143.8 154.36 43.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.95 -176.4 45.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 124.54 11.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 t -68.29 88.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -132.13 143.52 50.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.483 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m 54.39 42.26 31.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 p -115.35 100.0 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.47 104.68 2.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 p -165.41 154.58 12.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -62.35 -59.87 4.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . 74.93 93.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.3 Cg_endo -69.79 131.67 21.67 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.302 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.5 t -81.54 -46.6 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.5 148.61 40.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -173.55 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.248 . . . . 0.0 112.38 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 12' ' ' VAL . 34.0 m -78.65 52.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 83.7 mmt-85 -105.4 97.85 15.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.83 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 54.0 Cg_endo -69.8 -178.96 2.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -126.45 27.26 6.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.509 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -96.65 81.63 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.633 ' N ' HG22 ' A' ' 25' ' ' VAL . 24.3 mtt180 -167.33 160.72 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.8 t -90.74 134.12 34.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 55.1 t80 -82.2 22.76 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -134.64 -43.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 p -117.66 -5.86 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 m120 64.35 25.09 13.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HE2' ' SG ' ' A' ' 39' ' ' CYS . 18.9 ttpt -83.24 112.71 20.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 42.7 pttt -42.2 113.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.731 HG21 HG22 ' A' ' 37' ' ' THR . 31.1 m -99.97 23.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.79 -139.83 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.8 m -101.5 26.93 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -132.13 30.72 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.22 173.52 46.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -107.6 103.31 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -86.35 122.84 30.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.4 t -83.79 156.62 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -52.15 -28.51 18.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.5 p -63.39 -34.79 78.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 29.05 3.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.5 m -117.72 148.76 41.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.401 . . . . 0.0 110.885 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.731 HG22 HG21 ' A' ' 25' ' ' VAL . 12.1 m -100.25 139.56 35.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 47.0 m-85 -136.67 165.57 25.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.448 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 19.7 p -95.31 33.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.1 -49.81 3.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.8 m -66.89 -26.08 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -115.81 20.0 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -67.96 -20.74 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -71.63 152.55 93.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.77 -44.64 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.13 -23.34 63.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -73.88 -35.29 64.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.642 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 40.2 p-80 -118.71 34.21 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.639 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' HIS . 12.5 pt-20 32.72 47.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.455 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 31.1 t -46.92 135.86 8.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.8 m -83.28 -35.29 25.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -39.29 136.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.87 81.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -60.38 -44.04 96.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.598 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.9 ptpt -76.97 127.95 33.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.34 101.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 55' ' ' LYS . 87.7 t -111.78 142.87 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.43 -90.57 0.57 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.3 p -64.86 131.7 47.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.18 147.48 5.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.59 13.5 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.4 t -94.36 140.95 29.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -86.43 170.01 12.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.455 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -144.12 155.99 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.828 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 m -137.4 158.76 43.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.31 74.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -102.07 84.68 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -73.64 153.96 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.83 -160.78 28.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.537 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' SER . 54.0 Cg_endo -69.79 -46.11 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' PRO . 76.8 p 37.69 41.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' NH2' ' HD2' ' A' ' 13' ' ' ARG . 8.1 mmm180 -72.75 138.82 80.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -163.2 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.724 2.283 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 12' ' ' VAL . 31.4 m -75.34 47.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 9.3 mtt-85 -61.05 -62.25 6.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.723 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 13' ' ' ARG . 53.6 Cg_endo -69.77 104.56 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 17' ' ' ARG . 89.0 m-20 -89.44 -28.7 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.504 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.4 p30 -54.93 83.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.603 ' N ' HG22 ' A' ' 25' ' ' VAL . 27.1 mtt180 -168.22 161.89 12.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.2 t -93.1 133.49 36.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 45.8 t80 -81.99 23.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -134.64 -40.69 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.6 p -122.59 -5.05 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m120 64.76 25.0 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -81.39 111.66 17.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 14.1 ptmt -43.92 111.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.637 HG21 HG22 ' A' ' 37' ' ' THR . 16.8 m -96.23 19.34 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 36.15 -133.62 0.72 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.52 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 m -99.71 21.06 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.0 39.95 3.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.44 161.92 26.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -104.58 97.96 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -78.72 121.37 24.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 t -82.57 157.22 23.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -51.22 -28.42 11.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.7 p -65.45 -33.5 76.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.12 26.17 4.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 m -113.77 149.18 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.898 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.637 HG22 HG21 ' A' ' 25' ' ' VAL . 21.1 m -99.05 138.79 35.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.66 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 48.8 m-85 -138.42 166.08 25.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.41 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 11.1 p -98.48 37.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.89 -50.96 3.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 m -64.99 -23.81 67.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.557 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.1 m170 -122.08 25.37 9.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.57 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -75.0 -19.98 59.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.478 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 35.3 m-85 -72.27 148.68 91.27 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.664 0.745 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.437 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.81 -32.6 18.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.15 -21.02 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -97.55 20.26 12.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.66 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 p-80 -172.76 128.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -43.68 90.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' HIS . 10.3 t -101.18 99.41 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 52' ' ' PHE . 1.9 t -68.11 -35.69 78.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' SER . 2.5 t80 -35.08 105.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.33 84.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CZ ' ' SG ' ' A' ' 50' ' ' CYS . 34.5 m-85 -62.59 -43.37 98.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -99.75 171.99 7.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 65.02 43.29 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.6 t -138.04 121.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.15 -93.1 0.14 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -97.49 122.71 40.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.968 0.413 . . . . 0.0 110.858 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.14 173.36 35.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 142.99 49.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.316 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p -80.82 45.16 0.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.8 t -160.24 153.23 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.511 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.546 -0.221 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -81.46 170.14 16.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.7 p -165.59 144.45 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.18 172.63 36.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -156.52 125.28 5.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -155.06 120.18 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.816 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.6 143.19 19.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 99.83 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.6 p -174.99 149.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -76.83 143.12 70.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.63 0.729 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -165.05 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 m -80.44 42.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -60.03 127.94 86.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -166.82 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -127.54 30.89 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.509 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -98.73 83.89 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 16' ' ' ASN . 6.4 mtm105 -172.49 152.08 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -89.24 130.88 35.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -79.55 20.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.02 -33.77 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 p -128.85 -4.14 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 60.85 25.0 14.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -82.57 107.01 14.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 39.6 pttt -40.8 110.44 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.761 HG21 HG22 ' A' ' 37' ' ' THR . 19.4 m -95.6 22.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.6 -137.49 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.1 26.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.6 mmt -134.85 39.15 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.66 171.77 35.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -105.9 99.46 9.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -79.12 120.37 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -81.22 158.84 24.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -53.28 -32.05 46.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 p -62.52 -37.09 84.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.61 26.79 3.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 7.1 m -111.31 157.8 19.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.814 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.761 HG22 HG21 ' A' ' 25' ' ' VAL . 9.0 m -107.65 133.92 51.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 51.5 m-85 -134.92 163.97 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 7.8 p -94.34 37.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.81 -49.71 2.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -65.36 -27.57 68.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.81 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.465 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 16.7 m80 -118.18 24.95 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -74.21 -19.92 60.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -70.59 147.38 94.64 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.714 0.769 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.21 26.81 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.225 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.64 -21.47 59.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -95.94 19.99 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.639 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.7 p-80 -172.74 134.62 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -49.43 87.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' HIS . 1.8 t -101.25 113.54 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.2 t -109.11 41.35 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -99.42 146.34 26.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.55 88.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -82.36 -53.7 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -51.15 158.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -132.3 101.56 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.7 t -67.17 107.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.75 39.34 2.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.3 p -101.88 114.29 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.2 170.75 21.29 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 86.59 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.356 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 m -143.51 132.61 23.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.9 t -143.04 123.53 13.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.516 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -116.86 107.12 14.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 110.899 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -71.48 -57.93 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.45 144.9 8.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -147.67 112.71 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 t -157.0 118.65 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.92 80.42 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -0.11 6.41 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.741 2.294 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -104.25 145.91 29.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -66.16 152.45 93.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -168.33 0.27 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.382 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' VAL . 35.3 m -83.4 51.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -81.24 139.59 48.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 112.62 3.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.97 23.15 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -91.49 80.78 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.683 ' N ' HG22 ' A' ' 25' ' ' VAL . 24.2 mtt180 -166.9 157.65 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.3 t -87.12 134.13 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 53.2 t80 -83.16 22.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -134.42 -39.69 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 p -121.48 -5.5 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.07 24.97 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HE2' ' CB ' ' A' ' 39' ' ' CYS . 9.8 ttpt -83.44 111.37 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 15.6 pttm -40.03 115.67 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.729 HG21 HG22 ' A' ' 37' ' ' THR . 33.8 m -103.26 24.3 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.77 -144.14 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -100.11 28.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.3 mmm -134.13 27.72 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.04 179.34 52.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 38.2 m-85 -111.15 103.6 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.936 0.398 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -88.35 121.12 30.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 33' ' ' LYS . 44.3 t -77.83 162.35 26.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -59.67 -25.53 64.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.0 p -66.55 -35.96 81.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.05 33.4 1.52 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 2.6 m -122.76 146.15 47.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.935 0.398 . . . . 0.0 110.869 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.729 HG22 HG21 ' A' ' 25' ' ' VAL . 18.4 m -98.16 139.5 33.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.621 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 48.0 m-85 -137.2 167.07 22.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' CB ' ' HE2' ' A' ' 23' ' ' LYS . 14.8 p -95.96 32.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.97 -42.61 2.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -74.51 -20.82 59.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.575 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 15.8 m170 -123.27 23.42 9.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 30' ' ' PHE . 5.9 ptm180 -76.19 -13.94 60.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 45.7 m-85 -75.59 150.57 84.53 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.681 0.753 . . . . 0.0 110.932 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -35.18 12.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.07 -18.39 64.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -102.06 19.15 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.621 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.0 p-80 -172.07 129.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -45.91 89.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 48' ' ' HIS . 10.4 t -99.13 108.29 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -94.84 35.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 1.7 t80 -117.81 151.85 36.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -118.56 81.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -50.11 -38.99 41.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.25 160.95 20.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -102.16 80.57 1.99 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.0 t -75.46 -41.11 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.83 89.02 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -165.73 162.41 18.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.386 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.24 -75.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 159.92 51.62 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.1 m -61.29 153.42 26.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.7 p -129.17 131.12 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.498 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.3 m -148.25 131.87 16.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -110.53 123.34 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.69 62.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -133.8 109.07 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -93.23 168.47 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.12 158.45 26.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 163.32 38.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.5 m -65.63 -59.92 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 17.7 ttp-105 -147.85 138.44 12.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.602 0.715 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.36 46.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 14.9 mmt85 -63.54 159.85 48.05 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.73 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.511 ' HD2' ' CD ' ' A' ' 13' ' ' ARG . 53.9 Cg_endo -69.78 -175.78 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.353 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -119.82 29.32 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.5 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -97.63 84.17 3.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.544 ' N ' HG22 ' A' ' 25' ' ' VAL . 8.6 mtm180 -169.56 153.43 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 38.6 t -86.96 132.59 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 50.9 t80 -82.22 24.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.489 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.6 m -134.39 -37.98 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 p -125.72 -13.34 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 t30 74.78 25.01 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -81.68 108.54 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 23.3 pttm -41.73 111.86 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.582 HG21 ' CG2' ' A' ' 37' ' ' THR . 16.8 m -96.81 22.32 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 35.54 -142.77 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -94.22 27.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.5 mtm -134.97 37.89 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.38 167.66 35.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -109.05 97.96 7.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -80.28 121.49 25.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.4 t -83.11 163.56 20.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -55.25 -33.71 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.7 p -58.8 -25.35 63.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.56 32.43 5.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 17.9 m -122.91 148.68 45.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.983 0.421 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.582 ' CG2' HG21 ' A' ' 25' ' ' VAL . 42.5 m -94.84 140.93 29.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 52.1 m-85 -139.98 165.82 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.432 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.7 p -98.78 36.9 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.02 -48.43 3.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.8 m -67.67 -19.96 65.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 119.358 -0.353 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.587 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.4 m170 -125.04 24.61 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.638 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 ptt85 -77.48 -14.38 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.438 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 54.3 m-85 -75.9 145.57 77.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.744 . . . . 0.0 110.92 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.74 -22.88 31.56 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.268 . . . . 0.0 112.355 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -78.68 -23.04 45.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -96.42 21.76 8.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.59 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 6.1 p-80 -175.03 149.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.597 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -64.69 72.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 48' ' ' HIS . 30.2 t -66.75 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.5 t 38.39 34.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -109.45 129.11 55.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -81.55 88.29 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -63.48 -46.01 88.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -58.92 119.06 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -103.3 162.14 13.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.5 t -97.72 137.19 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -107.84 52.04 0.68 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.5 m 44.74 42.24 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.813 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -143.86 140.68 9.66 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.557 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.13 53.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.385 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -116.87 119.57 35.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.4 t -51.43 -56.63 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.515 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -159.22 144.89 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.927 0.394 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 p -85.67 157.56 20.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.55 156.93 33.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -165.53 150.43 8.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 m -144.03 143.61 31.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.19 -147.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.3 p -172.9 155.55 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.486 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 11.3 ttm105 -39.93 140.93 0.83 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 10' ' ' ARG . 53.8 Cg_endo -69.77 -161.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -74.43 46.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.84 118.97 26.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 125.3 12.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -105.7 23.17 14.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.1 p30 -94.17 83.7 4.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.602 ' N ' HG22 ' A' ' 25' ' ' VAL . 2.5 mtt85 -169.77 151.14 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.4 t -83.02 134.43 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.562 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 53.8 t80 -82.77 24.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.449 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.8 m -134.35 -43.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 p -120.46 -9.91 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t30 71.54 24.98 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -81.2 106.52 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 3.9 ptmm? -37.14 117.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.775 HG21 HG22 ' A' ' 37' ' ' THR . 30.7 m -104.12 25.26 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 32.92 -141.4 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.7 m -100.42 29.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.3 mtm -135.0 31.28 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.98 172.43 47.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.463 ' CG ' ' HD2' ' A' ' 43' ' ' ARG . 24.9 m-85 -104.21 99.71 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -81.27 123.38 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.8 t -85.89 158.52 19.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -54.35 -32.73 57.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.5 p -60.22 -38.11 82.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.8 29.63 2.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.0 m -117.51 150.67 38.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.775 HG22 HG21 ' A' ' 25' ' ' VAL . 8.8 m -102.36 137.22 40.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.612 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 31.3 m-85 -135.31 164.21 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 23.1 p -94.2 33.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.74 -42.03 2.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.3 m -75.1 -20.74 59.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 119.328 -0.367 . . . . 0.0 110.832 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.607 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 15.3 m170 -124.33 25.23 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.573 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 6.0 ptm180 -76.98 -16.23 59.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.482 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 46.0 m-85 -74.62 150.38 86.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.705 0.764 . . . . 0.0 110.908 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.77 -20.11 63.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -99.37 19.25 15.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.612 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 4.1 p-80 -172.51 128.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -44.04 90.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' HIS . 5.6 t -102.36 94.24 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' PHE . 34.9 t -64.59 -38.39 90.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' SER . 7.8 t80 -34.36 128.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -88.11 88.6 7.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -64.44 -55.26 22.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.18 162.64 23.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -55.88 115.93 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.6 t -93.01 -57.68 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.37 -84.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -62.3 96.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.38 . . . . 0.0 110.813 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -117.59 -94.28 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 2.91 3.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -65.86 -63.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 p -149.06 143.9 26.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.47 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -141.13 165.52 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.357 . . . . 0.0 110.822 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 p -158.02 171.08 20.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.49 118.87 1.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -134.72 129.09 34.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 m -50.05 166.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.6 138.23 9.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -72.37 170.78 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -108.95 153.76 42.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.548 0.69 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.659 2.24 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 34.9 m -83.68 47.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 -75.16 125.55 88.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -176.5 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.372 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' ARG . 35.2 m120 -106.07 -30.0 9.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.504 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 8.3 p30 -54.9 83.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' N ' HG22 ' A' ' 25' ' ' VAL . 33.0 mtt-85 -169.26 163.12 10.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.7 t -94.8 134.46 37.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 56.8 t80 -82.22 23.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.464 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.14 -41.8 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.8 p -121.79 -4.79 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 64.52 25.05 13.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -81.35 112.68 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 18.3 ptmt -44.74 110.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.662 HG21 HG22 ' A' ' 37' ' ' THR . 16.1 m -95.76 20.24 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 37.14 -119.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 m -106.51 -7.97 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.65 39.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.07 151.26 20.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -95.73 110.06 22.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -91.29 117.55 29.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.4 t -78.78 159.13 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -32.35 48.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -61.72 -37.88 85.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.06 30.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.7 m -116.6 148.71 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.951 0.405 . . . . 0.0 110.853 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.662 HG22 HG21 ' A' ' 25' ' ' VAL . 9.6 m -100.72 138.5 37.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.664 ' CZ ' ' ND1' ' A' ' 48' ' ' HIS . 35.6 m-85 -136.44 166.44 23.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.8 p -99.01 36.22 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.3 -50.08 3.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.1 m -66.39 -22.44 66.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.546 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.5 m170 -122.72 24.12 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.608 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -72.43 -20.48 61.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -73.92 152.57 88.85 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.667 0.746 . . . . 0.0 110.929 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.432 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.4 Cg_endo -69.71 -44.09 2.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.378 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -61.93 -21.19 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -77.13 -33.28 56.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.664 ' ND1' ' CZ ' ' A' ' 38' ' ' PHE . 32.3 p-80 -119.49 32.86 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.616 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 48' ' ' HIS . 33.7 mm-40 33.89 45.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.447 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 46.2 t -41.49 130.76 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 t -79.76 -31.75 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -39.02 149.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.01 81.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -57.18 -40.77 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -104.01 83.95 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 57' ' ' VAL . 13.3 tp10 -64.52 146.21 54.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 56' ' ' GLU . 93.8 t -33.82 147.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.16 88.26 1.79 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.2 p -145.34 149.11 34.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.836 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 174.43 117.07 0.46 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.5 27.4 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.1 t -54.58 132.52 45.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.8 m -84.4 42.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.469 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 m -98.05 123.11 41.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.917 0.389 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -89.66 154.55 19.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.07 59.99 0.19 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -43.93 134.79 4.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -90.32 128.23 36.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.96 152.9 19.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.543 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.21 14.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -91.05 -47.3 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -67.34 139.73 94.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -167.88 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -81.3 49.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmm-85 -109.87 125.57 30.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.71 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -163.92 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -77.06 53.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 1.5 p30 -95.34 78.53 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.591 ' N ' HG22 ' A' ' 25' ' ' VAL . 15.4 mtt180 -168.25 160.67 11.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 38.3 t -91.32 132.78 35.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 44.3 t80 -82.3 23.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.489 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -133.23 -41.07 0.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.67 -12.69 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 74.2 25.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -82.31 112.87 19.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 23.3 pttm -45.26 111.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.682 HG21 HG22 ' A' ' 37' ' ' THR . 17.6 m -96.21 18.78 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.06 -135.43 1.37 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.34 27.21 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 mmt -134.68 38.96 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.2 172.58 32.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -107.06 100.97 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -82.99 118.46 23.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.5 t -78.65 156.5 29.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 25.3 mttt -53.98 -28.0 34.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.96 -36.59 84.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.19 31.58 1.84 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 m -121.14 150.87 40.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.682 HG22 HG21 ' A' ' 25' ' ' VAL . 16.4 m -101.7 139.04 37.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 19' ' ' PHE . 47.4 m-85 -137.05 164.59 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.3 p -98.52 40.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.64 -50.67 2.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.7 m -65.88 -22.68 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.522 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 23.3 m170 -122.0 24.11 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -73.44 -20.81 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -73.8 152.39 89.06 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.704 0.764 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.73 -44.45 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.95 -23.25 65.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -75.6 -31.89 60.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 35.6 p-80 -122.14 35.96 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 48' ' ' HIS . 5.3 pt-20 30.4 52.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.449 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 48.2 t -53.49 146.63 12.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -120.61 31.43 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.522 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 46.1 t80 -80.21 162.48 24.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 4.5 p-10 -104.69 61.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 52' ' ' PHE . 64.4 m-85 -57.24 -38.23 73.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.1 mmpt? -101.14 37.21 1.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LYS . 8.2 pt-20 33.71 42.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.65 99.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.58 -169.14 19.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 m -108.58 152.6 24.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.5 155.63 9.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' A' ' 63' ' ' SER . 53.8 Cg_endo -69.71 1.21 4.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.248 . . . . 0.0 112.383 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.3 t -52.4 86.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 61' ' ' PRO . 78.7 p -119.13 120.21 36.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.833 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.475 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -112.37 -60.34 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.381 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m 46.53 42.43 11.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.87 -47.42 2.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 p -117.44 137.39 52.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -120.84 42.45 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.0 114.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.48 45.79 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.2 p -173.02 145.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 130.73 72.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.576 0.703 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -164.29 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.455 ' C ' ' OD1' ' A' ' 15' ' ' ASN . 35.3 m -82.49 42.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.498 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 3.8 mmm180 -71.78 -59.74 2.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.9 Cg_endo -69.7 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.455 ' OD1' ' C ' ' A' ' 12' ' ' VAL . 35.1 m-20 50.47 25.13 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -96.37 84.98 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.535 ' N ' HG22 ' A' ' 25' ' ' VAL . 9.9 mtt85 -170.82 154.7 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.0 t -87.56 133.15 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 50.4 t80 -81.64 23.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.435 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.58 -39.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.48 -5.13 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.62 25.05 13.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -81.87 109.88 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 5.8 ptpp? -42.68 113.97 0.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.62 HG21 HG22 ' A' ' 37' ' ' THR . 15.7 m -96.81 22.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.62 -129.58 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.3 m -102.99 24.53 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -131.53 44.44 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.25 159.26 21.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -102.21 99.72 9.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -81.08 119.72 23.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.9 t -82.42 159.83 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -53.93 -27.81 33.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.8 p -64.24 -37.01 85.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.2 26.12 3.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.547 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 4.8 m -115.0 151.98 33.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.864 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.62 HG22 HG21 ' A' ' 25' ' ' VAL . 22.3 m -102.63 138.68 39.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.65 ' CZ ' ' CG ' ' A' ' 48' ' ' HIS . 45.4 m-85 -136.36 164.79 27.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 13.0 p -96.78 35.23 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.6 -50.87 4.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -65.97 -23.84 66.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 119.336 -0.364 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.59 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 m170 -121.26 25.12 9.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -75.92 -18.8 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.434 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 35.5 m-85 -74.31 148.84 86.45 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.702 0.763 . . . . 0.0 110.924 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.7 -33.45 16.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.35 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.76 -18.8 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -100.32 19.38 16.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.65 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.1 p-80 -171.58 129.92 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.573 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -44.89 90.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' HIS . 5.3 t -103.26 96.42 6.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.7 t -92.9 39.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -98.53 135.97 39.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -75.7 83.24 2.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -69.46 -47.43 64.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt 37.36 51.63 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -114.01 79.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -84.01 41.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.42 -145.07 30.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.1 m -127.01 100.93 6.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.29 -172.83 14.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.21 32.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.7 t -170.26 131.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -38.3 136.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.103 -0.831 . . . . 0.0 112.504 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -128.07 164.68 21.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p -74.42 120.56 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.52 93.9 0.95 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -98.95 106.08 18.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.826 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -103.91 119.15 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.18 124.69 7.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.508 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 97.78 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.0 p -116.09 141.23 48.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 -58.99 143.5 83.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -163.76 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -83.72 45.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 2.6 mmm180 -94.99 108.27 37.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.631 0.729 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 53.8 Cg_endo -69.74 126.9 13.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.248 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' ARG . 78.9 m-20 -90.59 -25.07 20.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.509 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 2.0 p30 -57.91 81.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.647 ' N ' HG22 ' A' ' 25' ' ' VAL . 33.7 mtt-85 -166.11 163.41 18.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 34.9 t -92.89 134.68 34.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 51.9 t80 -83.08 23.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -135.0 -42.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 p -120.46 -4.63 9.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 63.83 25.04 13.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.38 110.17 16.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 13.6 pttp -41.76 112.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.647 HG22 ' N ' ' A' ' 17' ' ' ARG . 19.1 m -98.0 21.91 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 34.08 -139.16 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 m -97.5 23.63 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.95 34.33 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.87 167.66 35.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -106.6 103.07 12.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -82.27 123.96 29.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.7 t -83.24 157.31 22.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -52.17 -33.17 39.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -61.71 -36.84 82.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.03 29.11 2.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 2.7 m -116.1 149.45 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.954 0.407 . . . . 0.0 110.836 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.645 HG22 HG21 ' A' ' 25' ' ' VAL . 24.3 m -99.81 141.05 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 44.3 m-85 -139.94 166.2 25.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.469 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 12.4 p -96.67 34.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.78 -42.37 2.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.0 m -73.37 -22.24 60.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.588 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 19.9 m80 -123.87 23.41 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.594 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 5.9 ptm180 -75.39 -18.54 59.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -74.22 152.37 88.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.943 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -44.83 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -62.87 -19.39 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -79.69 -35.28 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.486 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 40.1 p-80 -118.66 35.34 4.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 48' ' ' HIS . 77.2 mm-40 31.1 53.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.458 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . 49.8 t -55.1 158.36 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.5 m -130.69 31.62 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' PHE . 38.1 t80 -84.63 106.66 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.84 88.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' PHE . 38.5 m-85 -70.16 -48.04 59.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -95.28 169.65 9.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -153.47 114.68 4.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -96.69 142.21 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.88 179.43 42.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.8 t -62.49 109.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.47 163.37 32.5 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 85.54 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -125.62 80.76 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.9 t -170.82 163.24 7.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.505 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -121.52 146.99 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -168.53 133.45 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.805 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.27 89.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -118.51 -44.75 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -103.44 119.32 38.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.75 -150.04 6.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 160.82 48.28 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -54.73 174.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -46.48 135.0 7.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -170.47 0.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.9 m -81.15 41.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.539 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 3.5 mmm180 -69.02 -57.6 7.38 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.617 0.723 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.6 Cg_endo -69.78 132.64 23.71 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -98.38 25.66 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.519 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -95.48 85.55 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.53 ' N ' HG22 ' A' ' 25' ' ' VAL . 18.7 mtm180 -169.4 151.57 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.5 t -87.4 131.27 34.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 46.7 t80 -80.77 24.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.42 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.19 -38.64 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.3 p -125.89 -13.01 6.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t30 74.86 25.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.81 109.02 15.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 7.2 ptmm? -41.32 111.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.73 HG21 HG22 ' A' ' 37' ' ' THR . 25.5 m -96.52 22.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.38 -135.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -100.98 24.95 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.7 mmm -131.57 38.21 3.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.36 168.06 29.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.452 ' CE1' ' CZ ' ' A' ' 43' ' ' ARG . 27.2 m-85 -106.48 99.73 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -79.7 131.67 36.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.76 161.71 14.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 19.2 mmtm -55.87 -30.31 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.96 -35.02 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.39 28.14 3.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -114.05 151.69 32.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.73 HG22 HG21 ' A' ' 25' ' ' VAL . 10.1 m -103.79 135.42 45.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 42' ' ' HIS . 47.9 m-85 -133.27 165.47 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.438 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.4 p -96.78 35.49 1.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.39 -48.36 2.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.2 m -68.48 -19.88 64.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 119.391 -0.338 . . . . 0.0 110.886 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.608 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 12.2 m170 -125.52 25.53 7.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.625 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CZ ' ' CE1' ' A' ' 30' ' ' PHE . 6.2 ptm180 -79.25 -11.09 59.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 67.3 m-85 -77.83 147.99 75.06 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.672 0.749 . . . . 0.0 110.897 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' HIS . 54.6 Cg_endo -69.68 -28.47 25.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -75.46 -20.15 59.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.53 15.57 22.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.514 ' CG ' ' CZ ' ' A' ' 38' ' ' PHE . 4.9 p-80 -168.2 134.97 2.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 109.579 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -50.18 86.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 48' ' ' HIS . 4.4 t -97.25 113.25 24.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.2 p -103.59 34.77 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 23.5 t80 -99.83 144.98 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.62 83.94 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -62.2 -45.65 92.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -53.87 127.21 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -108.96 127.53 54.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.66 132.33 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.03 -87.47 0.12 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m -154.89 136.46 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.67 146.01 4.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 101.92 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.325 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 t -77.94 -54.21 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -152.78 158.14 41.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.49 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -166.23 175.79 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 110.846 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -169.83 151.35 4.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.29 167.16 12.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -168.36 122.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.833 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -132.74 165.55 24.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.77 103.5 0.17 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 86.36 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.723 2.282 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -100.29 120.96 40.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mtm105 -76.85 135.94 67.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.635 0.731 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -171.31 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.276 . . . . 0.0 112.375 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 12' ' ' VAL . 33.4 m -80.27 45.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -71.84 158.15 88.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.603 0.716 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.73 28.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -94.81 27.66 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -100.85 79.6 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.679 ' N ' HG22 ' A' ' 25' ' ' VAL . 24.8 mtt180 -163.88 163.44 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 38' ' ' PHE . 35.3 t -90.13 133.26 34.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 54.5 t80 -83.21 24.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.497 ' HB2' ' ND1' ' A' ' 42' ' ' HIS . 1.7 m -134.7 -44.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 p -116.8 -13.6 10.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 t30 75.01 24.99 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -83.04 112.47 19.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 11.8 ptpt -43.77 114.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.679 HG22 ' N ' ' A' ' 17' ' ' ARG . 19.9 m -99.13 21.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 31.74 -138.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -96.64 27.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 29.6 mtm -134.97 40.25 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.73 165.56 23.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -104.39 100.51 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.931 0.396 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -83.19 123.73 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 t -84.4 157.18 21.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 5.6 mmpt? -53.7 -31.6 48.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -58.15 -37.85 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.61 27.92 2.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 6.4 m -121.17 149.55 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.62 ' CG2' HG21 ' A' ' 25' ' ' VAL . 58.5 m -100.71 142.93 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.626 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 43.4 m-85 -138.28 166.35 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 14.8 p -97.54 33.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.02 -40.79 2.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -76.48 -16.37 59.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.329 -0.367 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 14.9 m170 -130.33 23.13 5.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.582 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 5.9 ptm180 -72.37 -26.62 61.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -63.53 152.48 85.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.955 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.552 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.81 -33.27 16.73 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.321 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.34 -21.29 59.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 8.04 6.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.626 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 25.6 p-80 -162.45 -175.03 4.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.621 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 49' ' ' GLU . 1.2 pp20? -84.62 51.29 2.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 t -62.88 112.62 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -111.77 39.95 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 33' ' ' LYS . 34.5 t80 -87.76 156.96 19.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 5.1 p-10 -102.09 58.31 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 52' ' ' PHE . 74.2 m-85 -52.7 -40.38 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -42.48 108.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.96 39.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.3 p -89.22 135.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.76 113.38 3.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.2 t -90.92 105.2 17.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -146.34 93.38 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 91.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -42.14 156.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.1 m -45.33 148.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.531 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.4 p -172.55 146.88 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.913 0.387 . . . . 0.0 110.885 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.0 p -172.94 147.21 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.32 -139.87 9.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -156.55 161.89 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -173.3 151.55 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.15 -169.05 31.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 99.18 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.33 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 m -137.79 129.49 28.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -82.72 149.71 60.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -168.61 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m -83.0 27.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.642 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 4.3 mmm180 -63.51 -52.09 62.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 13' ' ' ARG . 53.4 Cg_endo -69.78 127.67 14.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -125.45 -27.56 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -57.46 78.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.729 ' N ' HG22 ' A' ' 25' ' ' VAL . 23.8 mtt180 -164.13 163.2 23.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -89.87 133.7 34.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 49.5 t80 -83.39 23.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -134.0 -43.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 p -117.12 -12.94 10.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.401 ' OD1' ' HD3' ' A' ' 17' ' ' ARG . 6.9 t-20 73.96 24.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HE2' ' SG ' ' A' ' 39' ' ' CYS . 18.4 ttpt -84.2 113.64 21.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 12.4 ptpt -41.84 116.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.762 HG21 HG22 ' A' ' 37' ' ' THR . 27.9 m -102.41 24.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . 33.34 -142.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.9 m -99.57 29.14 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 47.5 mtm -134.66 30.47 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.08 176.36 53.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -111.83 103.3 11.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.955 0.407 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -82.94 118.32 23.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -77.92 155.01 31.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 1.2 mmpt? -49.28 -31.29 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.4 p -64.1 -35.15 79.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.03 32.67 2.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 1.9 m -118.29 146.72 44.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.762 HG22 HG21 ' A' ' 25' ' ' VAL . 11.2 m -95.06 136.38 35.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 55.8 m-85 -136.5 164.75 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.417 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 20.2 p -93.23 33.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.2 -46.59 3.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -70.56 -23.87 62.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 119.405 -0.331 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.517 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 21.6 m170 -117.52 21.42 13.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -71.38 -16.91 62.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.67 147.8 84.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.696 0.76 . . . . 0.0 110.922 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.69 -33.44 16.82 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.87 -20.33 64.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -97.15 17.31 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.625 ' CE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.0 p-80 -170.94 126.64 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.619 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -43.62 90.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 48' ' ' HIS . 13.2 t -98.96 109.26 22.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m -88.63 33.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' CE2' ' HB3' ' A' ' 33' ' ' LYS . 3.8 t80 -99.52 133.79 43.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.65 87.79 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 55' ' ' LYS . 82.9 m-85 -72.07 -39.58 68.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -33.18 -58.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -52.32 117.22 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.9 p -82.85 137.61 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.32 41.67 0.35 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.0 m -67.36 -54.97 15.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.935 0.397 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 62' ' ' SER . . . -170.78 98.53 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 62' ' ' SER . 53.7 Cg_endo -69.76 11.24 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.508 ' C ' ' O ' ' A' ' 61' ' ' PRO . 49.1 p -28.98 -47.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -62.64 127.86 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.516 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_