data_2ysm_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 2ysm _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 8' ' ' ALA . . . . . 0.558 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.807 0.337 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.18 170.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 3.7 t -55.04 129.24 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.97 6.21 26.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.5 t -111.75 -48.17 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.2 p -103.7 -27.27 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 21.6 t0 73.9 47.23 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.4 t -140.82 145.97 42.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.641 0.734 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.82 -41.77 3.91 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.68 2.254 . . . . 0.0 112.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 33.6 -129.75 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.92 131.51 42.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.86 -50.76 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 20' ' ' LEU . 4.4 mm? -61.44 -43.18 99.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.26 -49.03 73.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' OE1' ' CB ' ' A' ' 31' ' ' HIS . 25.4 pt20 -82.82 148.65 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.511 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 21.4 m-85 -78.99 164.54 24.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -131.28 116.18 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.1 t -66.23 157.08 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.0 p -103.42 -34.47 8.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.9 m -68.41 -65.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.7 p -83.72 -42.32 16.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.96 36.74 5.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -102.02 169.89 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 4.9 m170 -125.77 151.18 47.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CG ' HD12 ' A' ' 37' ' ' LEU . 74.9 m-85 -151.85 121.42 6.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -62.71 152.62 35.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.29 -29.64 73.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.0 mmt -82.93 -40.26 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.89 -39.42 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.496 HD12 ' CG ' ' A' ' 32' ' ' TYR . 11.6 mt -102.98 1.24 33.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 56.76 39.79 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -100.38 147.2 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.96 109.34 20.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.75 120.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.2 p -131.42 155.2 81.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.01 15.18 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' CD2' HG22 ' A' ' 74' ' ' THR . 19.1 tp -105.16 -43.36 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -57.96 -49.04 78.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -40.31 -56.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.29 117.83 17.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.26 37.81 35.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.511 ' CZ3' ' HB2' ' A' ' 23' ' ' PHE . 24.8 t90 -81.35 142.54 32.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.709 0.29 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -136.13 125.04 24.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 53' ' ' GLU . 2.4 p -60.57 155.28 50.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -1.5 8.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 5.0 mm-40 -96.86 -24.3 15.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 85.3 m -108.17 -35.43 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -47.84 132.04 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.0 m -130.99 173.38 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 61' ' ' LYS . 51.6 t -74.92 112.55 11.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -72.12 1.16 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -96.19 -49.62 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.7 p -112.79 -21.66 11.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 62.96 54.86 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -139.69 109.71 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 p -83.63 119.87 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.16 -56.32 0.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -78.68 49.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -49.56 -47.7 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -49.08 -54.93 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -83.5 41.49 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 ttt -124.18 112.4 17.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.2 mt -79.76 136.55 36.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.39 110.06 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.9 t -50.61 161.95 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.85 -3.98 25.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.468 HG22 ' CD2' ' A' ' 44' ' ' LEU . 92.3 m -112.5 -71.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.169 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.42 -32.6 72.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 72.13 46.83 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 7.3 mmmm -108.3 141.08 40.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 79' ' ' TYR . . . -87.05 132.88 11.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 34.3 m-85 -146.3 121.99 10.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.923 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 28.6 m170 -68.08 135.54 52.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.5 p -47.02 -44.48 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 9.2 p90 -72.17 -20.9 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.1 m -95.71 26.06 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' PRO . 77.4 mt -112.73 147.23 37.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -123.73 104.01 33.87 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' LEU . 54.1 Cg_endo -69.74 179.73 21.43 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.385 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 84' ' ' LEU . 4.4 t -83.37 149.75 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.439 ' CG ' HD13 ' A' ' 84' ' ' LEU . 31.7 mmm -97.9 78.42 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' MET . 34.3 mmtm -35.2 -38.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.1 m -132.98 175.97 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.8 t -106.52 133.69 20.14 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 160.02 51.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.8 m -65.83 -64.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -157.96 152.54 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.4 72.72 1.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -111.71 150.4 30.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -136.29 150.2 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.8 p -96.52 174.33 6.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.472 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.33 -36.34 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.41 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 75.5 m-20 -66.61 -21.07 66.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' A' ' 103' ' ' ILE . 2.2 m -94.74 -56.32 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.469 ' CG ' ' HA ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -45.63 -21.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 11.5 mm . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.815 0.341 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -103.04 172.28 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.488 ' SG ' ' CG2' ' A' ' 12' ' ' VAL . 1.8 t -49.97 137.06 17.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -89.48 5.66 44.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -120.6 -41.15 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.129 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.69 -19.12 13.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.427 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 21.0 m-20 61.37 42.85 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.55 143.97 50.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.849 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.1 Cg_endo -69.84 -48.5 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.6 -133.13 0.64 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.86 127.01 38.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.454 ' N ' HD21 ' A' ' 19' ' ' LEU . 4.4 mm? -76.84 -40.34 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.46 -33.13 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.86 -51.09 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 4.6 pt20 -75.12 136.25 41.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.51 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 66.7 m-85 -73.89 158.19 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 24' ' ' PHE . 8.0 t80 -120.9 98.39 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.4 t -46.28 154.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -101.92 -28.69 12.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.3 m -73.98 -65.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.75 -39.73 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.79 41.46 5.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -102.55 170.44 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HB1' ' A' ' 8' ' ' ALA . 63.1 m170 -116.64 139.65 50.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.571 ' CE2' ' HB1' ' A' ' 11' ' ' ALA . 78.5 m-85 -145.66 127.94 15.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.468 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 28.6 m170 -70.15 157.2 38.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.17 -20.26 76.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.8 -47.36 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . 73.2 m -56.22 -17.97 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -116.67 -3.02 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 62.56 34.69 14.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -100.71 141.07 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.39 101.99 14.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -44.96 103.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.5 p -123.06 153.83 64.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 2.54 3.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' HG22 ' A' ' 74' ' ' THR . 12.7 tp -104.95 -38.92 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' ARG . 28.7 mttt -72.86 -49.54 29.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.0 mtt180 -33.99 -42.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.81 107.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.86 56.12 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.554 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 64.1 t90 -57.99 142.75 45.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.719 0.295 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -110.27 130.88 55.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.554 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.8 p -76.49 158.11 81.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.601 0.715 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.3 Cg_endo -69.75 -9.65 26.64 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -91.29 -17.79 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.1 m -117.04 -17.33 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 139.68 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 m -152.8 164.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.529 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.3 t -56.86 152.93 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -109.31 -16.2 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -81.86 -45.64 15.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.6 p -108.23 -26.35 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt 65.84 53.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -152.39 106.65 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -82.56 131.39 35.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.79 -47.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -96.78 87.66 4.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 67' ' ' SER . 2.7 p-10 -65.5 -50.72 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 66' ' ' ASP . 3.8 t -49.29 -62.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.47 -37.35 75.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.1 ttm -55.92 130.01 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.86 121.13 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.8 t -97.18 108.81 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.1 t -51.11 163.9 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.02 -18.08 13.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.466 HG22 ' CD2' ' A' ' 44' ' ' LEU . 69.0 m -94.66 -63.48 1.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 20.2 p -85.38 -22.34 28.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t70 66.53 46.32 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 16.5 mmtt -96.44 -174.67 3.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.24 124.3 4.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 21.7 m-85 -146.92 118.1 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 25.8 m80 -65.32 145.83 55.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.7 p -49.11 -51.69 30.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -67.2 -20.11 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 34.0 m -90.38 22.62 3.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 86' ' ' PRO . 78.8 mt -111.74 146.21 37.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 4.1 tp-100 -125.52 102.56 29.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.9 Cg_endo -69.8 178.44 25.55 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.332 0.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.9 t -83.84 150.69 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.0 mmm -95.7 144.91 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -42.43 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.4 p -136.29 178.01 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.6 t -103.72 114.72 64.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.741 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 139.7 40.57 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.258 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.0 p -101.64 20.12 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -117.21 48.94 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.91 99.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -76.2 158.43 31.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -140.51 123.19 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.91 144.63 30.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 100' ' ' ASN . 1.1 tmtp? -38.66 -63.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 99' ' ' LYS . 9.1 t-20 -36.17 -36.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 33.2 m -85.42 -49.62 7.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 103' ' ' ILE . 37.9 mtt180 -42.78 -34.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 102' ' ' ARG . 28.6 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.537 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.803 0.335 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -104.32 158.12 16.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 14' ' ' ASP . 42.2 t -57.8 123.62 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.58 5.61 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -115.09 -38.3 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.63 -19.01 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.0 t70 61.25 53.59 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.2 m -129.9 123.13 20.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.699 0.761 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.73 -8.69 24.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -31.66 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.56 108.96 17.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.7 mt -95.67 -44.92 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.06 -44.84 29.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -48.62 -41.4 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -72.68 160.81 31.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.458 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 5.9 m-85 -96.86 173.62 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -134.97 112.68 10.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.9 t -61.15 154.05 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -102.53 -22.07 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.4 m -81.75 -64.22 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.86 -42.87 12.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.84 36.94 5.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 27.4 mm100 -97.53 176.05 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 1.2 m-70 -132.31 153.48 50.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 53.1 m-85 -157.45 140.93 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -76.3 145.64 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -63.84 -18.39 61.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.459 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.14 -45.5 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.0 m -55.47 -32.03 62.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD12 ' CG ' ' A' ' 32' ' ' TYR . 14.1 mt -101.82 -4.6 26.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 66.14 37.69 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' GLY . 38.5 mt -100.92 136.01 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.23 103.87 15.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -49.44 109.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.2 p -126.84 154.1 76.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 4.61 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tt -102.53 -48.45 4.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' ARG . 47.7 mttt -65.8 -55.29 17.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 74.8 mtp180 -34.76 -50.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.63 105.27 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.47 52.58 12.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.458 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 55.5 t90 -79.81 162.04 25.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.694 0.283 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -149.78 120.27 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.2 p -56.0 156.77 9.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.46 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.7 Cg_endo -69.77 -11.8 31.56 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.85 -13.67 41.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 99.0 m -122.77 -20.54 5.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CD ' ' HA ' ' A' ' 52' ' ' PRO . 15.9 ptmt -58.64 151.32 21.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.7 m -156.99 168.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.488 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 46.2 t -66.91 113.18 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -69.17 -19.55 64.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.406 ' OD1' ' SG ' ' A' ' 57' ' ' CYS . 5.3 m120 -69.16 -60.07 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.6 p -99.25 2.28 45.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' CYS . 43.2 mmtm 54.09 36.34 24.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -141.66 156.66 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.82 -175.61 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.31 -79.24 0.37 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -61.39 89.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -72.93 -58.28 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 p -45.48 -47.49 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -71.45 -39.28 71.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.5 ttm -55.35 117.38 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.552 HD13 ' CZ2' ' A' ' 96' ' ' TRP . 9.5 mt -91.09 118.18 30.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.94 110.05 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.4 t -55.94 163.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.4 -16.35 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.7 m -96.41 -62.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.1 p -82.98 -24.81 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.9 t70 63.53 52.12 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -113.86 149.95 34.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -91.41 127.22 8.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -142.98 116.22 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 23.9 m170 -66.75 134.37 52.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.9 p -44.07 -51.21 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.458 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 24.9 p90 -66.27 -21.73 66.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.458 ' SG ' ' CE1' ' A' ' 82' ' ' PHE . 95.5 m -92.23 20.52 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.435 HD11 ' CG ' ' A' ' 88' ' ' MET . 20.1 mt -108.66 146.49 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -126.35 102.96 26.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.67 28.06 Favored 'Cis proline' 0 C--N 1.342 0.235 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.365 -0.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 t -84.43 149.76 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.435 ' CG ' HD11 ' A' ' 84' ' ' LEU . 35.7 mmm -90.55 120.6 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -67.58 -36.41 80.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.8 m -156.85 173.88 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.0 t -94.45 128.71 39.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 94' ' ' ASN . 54.0 Cg_endo -69.78 2.35 3.62 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 92' ' ' PRO . 8.4 m 30.26 36.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 92' ' ' PRO . 63.8 t30 -173.32 105.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 46.38 97.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.552 ' CZ2' HD13 ' A' ' 70' ' ' LEU . 81.2 t90 -110.59 115.52 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -103.47 131.43 50.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -83.49 169.33 15.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 101' ' ' CYS . 29.0 ttpt -64.37 -64.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -38.45 -26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 99' ' ' LYS . 28.7 m -95.31 -37.21 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -48.92 -33.39 10.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -105.29 166.74 10.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' ASP . 13.2 t -50.51 122.16 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.516 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -73.93 4.22 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 t -115.52 -32.2 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 14' ' ' ASP . 10.4 p -130.57 18.69 5.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 13' ' ' CYS . 43.8 m-20 32.24 44.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.28 144.1 51.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.7 0.762 . . . . 0.0 110.843 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' GLY . 54.1 Cg_endo -69.78 -38.11 8.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.634 2.222 . . . . 0.0 112.376 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 36.9 -123.85 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -96.06 138.38 33.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 19' ' ' LEU . 4.4 mm? -95.11 -20.94 18.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 mt -91.35 -34.73 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.63 -44.8 73.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -70.52 158.87 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.571 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 30.2 m-85 -101.19 152.41 20.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -111.65 117.22 32.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.4 t -69.18 150.97 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -97.23 -24.74 15.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.3 m -79.11 -70.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.161 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.24 -45.48 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.84 50.43 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -109.73 165.53 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -112.81 134.98 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.516 ' CE2' ' HB1' ' A' ' 11' ' ' ALA . 86.0 m-85 -136.28 124.05 22.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -64.88 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.02 -19.01 60.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.9 mmm -93.31 -51.87 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.2 m -49.59 -28.23 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.1 mt -98.83 -22.53 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 72.82 40.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.1 mt -104.71 143.01 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.55 106.45 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.2 t -58.67 101.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.5 p -116.6 153.6 49.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.608 0.718 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 3.09 2.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -97.39 -37.6 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 28.5 mttt -76.9 -51.26 11.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' LYS . 14.5 mtp-105 -36.61 -38.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.54 88.28 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.99 47.4 2.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.571 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 75.4 t90 -85.44 150.88 24.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -133.18 128.55 36.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.22 156.7 87.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.86 33.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -89.69 -7.4 54.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' C ' ' A' ' 55' ' ' LYS . 73.2 m -125.82 -53.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 54' ' ' CYS . 12.3 pttm -29.96 143.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.1 m -146.7 176.17 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.2 t -63.91 154.08 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 98.5 mm-40 -106.82 -19.83 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -84.18 -48.1 10.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.3 p -104.71 -30.99 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt 65.32 47.5 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -132.46 109.02 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.9 p -76.63 118.72 19.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.1 -62.53 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -81.14 98.2 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.93 -52.58 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.3 p -53.62 -46.18 70.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -87.79 46.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.6 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 1.4 tpp -133.19 99.84 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD11 ' CG2' ' A' ' 81' ' ' THR . 23.2 mt -68.42 98.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.6 t -77.45 103.42 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 6.2 t -48.21 159.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -99.78 -41.34 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.5 m -68.05 -69.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 18.2 p -77.01 -36.83 56.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 60.28 54.59 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -97.23 -71.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' ' CD1' ' A' ' 79' ' ' TYR . . . 140.06 121.05 1.8 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 14.8 m-85 -146.79 129.05 15.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.935 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.6 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 34.6 m80 -74.64 137.25 42.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.452 ' CG2' HD11 ' A' ' 70' ' ' LEU . 23.2 p -53.89 -40.73 66.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.406 ' HA ' ' CG2' ' A' ' 87' ' ' VAL . 45.8 p90 -80.07 6.48 11.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -110.37 -1.38 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' PRO . 43.2 mt -91.97 155.07 18.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -126.46 103.8 25.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.9 Cg_endo -69.78 -177.69 15.13 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.368 -0.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -97.18 144.22 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.8 mmt -80.49 90.8 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -38.95 -39.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.8 m -132.69 174.32 10.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.2 t -104.2 127.77 28.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.668 0.747 . . . . 0.0 111.092 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -174.62 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.3 m -93.61 -53.78 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -169.14 146.14 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.39 52.3 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -111.57 151.44 28.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HE3' ' C ' ' A' ' 101' ' ' CYS . 14.7 tttp -143.57 125.32 15.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.4 p -72.12 155.65 40.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 101' ' ' CYS . 1.0 OUTLIER -48.99 -58.07 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -45.73 -21.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.44 ' C ' ' HE3' ' A' ' 97' ' ' LYS . 2.7 m -95.85 -43.89 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -53.6 -21.29 6.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.1 mm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.522 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.747 0.308 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -105.96 169.53 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.7 t -51.49 141.28 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.488 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -91.92 4.43 52.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -111.78 -54.95 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.2 p -96.02 -29.31 14.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 74.32 47.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 m -137.05 145.77 51.82 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.686 0.755 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.76 -44.76 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.09 -111.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -111.95 143.96 42.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.96 -49.95 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.8 mt -66.45 -37.55 85.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.78 -47.65 67.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.416 ' CD ' ' HB3' ' A' ' 31' ' ' HIS . 24.0 pt20 -87.24 155.92 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.462 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 37.8 m-85 -81.53 171.42 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' A' ' 25' ' ' CYS . 17.1 t80 -135.8 118.95 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.485 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 49.7 t -68.96 153.17 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.2 p -101.83 -25.95 13.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.9 m -76.9 -64.52 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 21.3 p -88.74 -46.07 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 99.86 35.88 4.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.407 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -93.95 167.52 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.93 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.522 ' CE1' ' HB1' ' A' ' 8' ' ' ALA . 12.1 m170 -122.43 152.39 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 74.1 m-85 -157.2 123.9 5.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -73.07 146.06 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.21 -18.29 27.53 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.7 mmt -90.76 -43.27 10.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.02 -25.91 67.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.402 HD13 ' CB ' ' A' ' 32' ' ' TYR . 13.5 mt -112.06 -2.84 14.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 58.77 42.14 20.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.5 mt -103.76 142.92 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.37 98.7 10.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.5 115.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.6 p -128.51 151.66 77.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -6.09 17.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -102.93 -49.42 3.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -57.7 -40.44 79.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -44.55 -49.12 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.43 136.79 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.97 50.53 54.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 67.7 t90 -92.26 143.32 26.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -136.95 123.05 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.67 157.05 10.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.651 0.739 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -13.44 34.7 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.251 . . . . 0.0 112.394 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -87.65 -10.97 49.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 55' ' ' LYS . 91.7 m -122.69 -51.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.9 pttm -31.96 147.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 63' ' ' SER . 22.3 m -146.01 166.31 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.54 138.66 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.455 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 50.2 mm-40 -91.43 -16.17 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -80.9 -53.17 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.3 p -101.56 10.33 40.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 42.17 34.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -134.52 174.92 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.501 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 9.1 t -140.86 135.67 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.9 -93.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.8 99.23 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -70.2 -52.28 24.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 t -50.81 -53.27 33.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -65.77 -40.26 91.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.8 ttm -45.63 128.03 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' CD1' HD12 ' A' ' 84' ' ' LEU . 1.9 mt -89.85 130.73 36.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.8 t -108.82 112.19 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.484 ' HB3' ' N ' ' A' ' 76' ' ' ASP . 12.1 t -55.9 161.81 2.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.01 -30.79 10.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -82.36 -58.13 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.452 ' SG ' ' CD ' ' A' ' 77' ' ' LYS . 12.7 p -101.07 -13.35 18.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.484 ' N ' ' HB3' ' A' ' 72' ' ' CYS . 0.7 OUTLIER 40.2 50.53 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' CD ' ' SG ' ' A' ' 75' ' ' CYS . 11.8 mtpp -78.26 -68.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.51 121.6 2.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.455 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 61.0 m-85 -147.08 133.84 20.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.951 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -67.67 168.68 10.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 88' ' ' MET . 0.7 OUTLIER -90.02 -21.94 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -106.62 18.46 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.9 m -116.71 -16.13 10.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 70' ' ' LEU . 10.4 mt -78.14 157.67 29.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -129.09 102.34 19.0 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 173.64 43.87 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.327 0.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 m -87.75 149.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.473 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 76.8 mtp -94.98 78.15 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' MET . 3.9 mptp? -33.62 -48.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.0 m -116.73 174.31 6.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 96.4 t -109.77 139.31 21.12 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.681 0.753 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.81 147.61 62.92 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.689 2.26 . . . . 0.0 112.317 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 m -40.66 -63.28 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -168.56 143.68 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.93 68.2 1.06 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -109.11 134.29 51.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -114.78 125.4 53.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.3 p -69.86 163.62 25.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -64.86 -41.66 95.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -59.04 -22.09 60.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.3 m -95.26 -43.03 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -61.63 -13.51 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.543 ' HB1' ' CD2' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.777 0.322 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -44.73 144.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ASP . 12.6 t -57.17 123.99 17.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.37 5.0 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -115.1 -45.59 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 p -113.5 -17.84 12.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' CYS . 36.5 t70 61.52 54.38 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 m -140.18 139.59 21.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.77 -51.73 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 30.68 -110.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.49 117.73 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.77 -47.82 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.7 -39.25 93.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.64 -47.61 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.513 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 14.5 pt20 -81.07 135.56 35.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.525 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 82.9 m-85 -60.73 172.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -135.72 116.49 14.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.9 t -71.27 154.99 41.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -104.01 -33.36 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.6 m -68.37 -63.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -87.9 -43.76 11.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.06 34.59 5.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -100.72 157.12 16.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.548 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 11.8 m170 -107.53 156.83 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 56.6 m-85 -157.73 121.43 4.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.513 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 36.5 m80 -63.11 159.02 18.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.26 -19.68 79.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.3 tpt -94.56 -39.58 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.26 -27.91 49.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 mp -110.72 4.82 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.1 t70 58.57 36.94 25.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.1 mt -101.66 146.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.92 98.66 11.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -46.09 119.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.7 p -132.76 154.45 81.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.29 2.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -104.51 -48.11 3.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 46' ' ' ARG . 18.0 mtmt -61.54 -54.71 39.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 45' ' ' LYS . 16.3 mtp-105 -34.14 -40.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.28 123.22 26.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.37 54.61 26.12 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.525 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 64.1 t90 -84.69 142.44 29.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.709 0.29 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -128.25 111.56 13.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.418 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 2.8 p -46.78 156.75 0.51 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 54.1 Cg_endo -69.79 -3.11 11.36 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.679 2.253 . . . . 0.0 112.377 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 4.1 mm-40 -96.42 -21.39 17.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.9 m -110.87 -32.08 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 4.2 ttpm? -59.52 139.22 57.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.6 m -138.8 172.47 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 41.5 t -61.82 118.7 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -78.74 7.42 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -107.33 -39.17 5.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.2 p -122.15 -21.57 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 57' ' ' CYS . 0.1 OUTLIER 62.63 53.1 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -133.71 106.97 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.7 p -80.79 140.55 35.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.89 -58.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -85.34 115.02 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.21 -55.01 3.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.1 t -49.75 -59.63 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -58.39 -43.15 88.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.1 ttm -53.61 107.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.416 ' CD1' HG21 ' A' ' 81' ' ' THR . 10.7 mt -81.94 111.76 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.6 t -90.29 110.53 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.7 t -55.37 130.69 43.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -81.32 18.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.5 m -122.45 -59.14 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.06 -41.79 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 74.16 51.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' C ' ' HD2' ' A' ' 55' ' ' LYS . 40.2 mttt -89.31 -43.96 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.66 118.83 4.43 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.519 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -147.3 122.68 10.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 28.6 m170 -71.97 137.55 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.416 HG21 ' CD1' ' A' ' 70' ' ' LEU . 25.1 p -44.99 -47.54 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 15.6 p90 -70.26 -23.33 62.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 63.1 m -87.57 21.13 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 86' ' ' PRO . 87.4 mt -112.75 137.45 51.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 5.3 tt0 -119.73 105.48 43.22 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.3 Cg_endo -69.83 175.12 38.05 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.303 0.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 t -84.69 149.77 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.469 ' HE2' ' NE1' ' A' ' 96' ' ' TRP . 7.8 mmm -86.71 138.3 31.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -88.91 -40.09 13.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.8 p -134.26 174.91 9.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.86 118.09 61.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.03 22.55 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 78.7 p -110.13 43.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -131.75 -52.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.5 86.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.469 ' NE1' ' HE2' ' A' ' 88' ' ' MET . 52.3 t90 -74.87 147.02 41.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.842 0.353 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -140.26 126.53 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.9 141.48 40.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 100' ' ' ASN . 18.2 tttp -41.73 -61.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 99' ' ' LYS . 14.8 m120 -34.65 -36.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' LYS . 22.4 m -85.94 -47.68 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 103' ' ' ILE . 49.6 mtp180 -46.46 -35.93 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 102' ' ' ARG . 29.1 mm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -104.35 175.93 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.4 t -68.11 130.63 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.76 6.33 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.7 t -111.43 -40.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 p -114.9 -28.27 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 14.0 t70 74.69 48.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.89 142.92 37.89 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.702 0.763 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -51.36 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.96 -116.92 0.62 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -114.0 117.98 32.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -78.62 -45.53 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.47 -40.55 95.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.08 -51.38 69.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -78.28 167.3 21.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.578 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 58.8 m-85 -79.79 162.01 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -136.43 111.09 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t -61.45 156.0 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 p -103.17 -34.97 8.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.177 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.2 m -68.02 -67.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 p -82.43 -34.59 28.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.62 35.95 12.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.555 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 16.4 mm100 -96.28 167.43 11.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' ' HB1' ' A' ' 8' ' ' ALA . 27.1 m170 -125.77 145.26 50.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 30' ' ' GLN . 9.0 m-85 -152.07 121.52 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -64.99 162.24 17.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' ASP . . . -73.25 -32.35 60.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ptm -77.85 -27.22 49.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.8 -24.17 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 5.6 mp -122.64 -8.84 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 34' ' ' GLY . 32.4 t0 70.86 41.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -102.49 141.2 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.57 116.54 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.8 t -57.83 91.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.44 149.28 35.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 5.2 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.234 . . . . 0.0 112.396 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tt -102.97 -55.9 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 31.9 mttt -56.57 -53.32 58.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -38.8 -47.44 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.44 92.39 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.31 50.57 4.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 37.7 t90 -76.83 166.23 23.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 6.7 mt-30 -153.55 112.67 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 53' ' ' GLU . 1.9 p -50.8 155.58 1.93 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.626 0.727 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.38 16.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.286 . . . . 0.0 112.31 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.1 mt-10 -95.73 -17.1 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.2 m -115.84 -23.97 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -65.0 141.48 58.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.4 m -143.15 175.31 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 43.5 t -64.1 153.17 38.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -107.67 -20.68 13.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -78.08 -51.13 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.8 p -102.4 -30.27 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt 67.12 47.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -137.57 104.33 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.2 p -74.35 142.18 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.46 -65.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -75.78 55.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.53 -47.37 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.9 m -48.5 -51.05 29.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -85.78 38.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.8 ttt -122.42 106.75 11.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.9 mt -75.57 102.26 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.5 t -83.66 107.17 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.2 t -49.21 162.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.434 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 2.3 m-20 -105.36 -34.28 7.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.0 m -77.3 -72.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 13.5 p -80.59 -26.12 38.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t70 67.04 54.52 0.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 35.7 mttm -106.57 119.13 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.0 129.04 40.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.428 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 56.4 m-85 -146.92 114.34 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 33.9 m170 -62.41 137.93 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.8 p -50.49 -37.19 37.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 7.0 p90 -78.01 -27.83 49.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.4 m -84.76 19.26 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 44.8 mt -101.39 150.14 23.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 32.4 tp60 -128.91 101.79 19.75 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.638 0.733 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.83 179.56 22.11 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.354 0.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 88' ' ' MET . 3.0 t -85.76 146.46 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.479 ' N ' HG13 ' A' ' 87' ' ' VAL . 15.7 mmm -93.37 131.15 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -77.02 -40.86 45.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.2 p -138.71 170.33 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -96.43 114.69 64.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 151.84 68.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.1 p -120.96 39.35 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -133.89 31.53 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.96 111.01 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -97.42 154.92 17.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.06 117.4 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.4 p -69.44 169.54 12.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 101' ' ' CYS . 10.4 tmtt? -61.15 -65.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' LYS . 2.0 t30 -38.53 -25.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 99' ' ' LYS . 18.5 m -94.88 -39.31 10.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' LYS . 14.6 ptt85 -45.34 -37.83 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.9 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HB3' ' NE2' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -135.96 174.16 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.6 t -64.54 143.43 57.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.35 4.52 53.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -113.36 -45.61 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 p -105.67 -28.57 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.8 t0 72.86 46.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -138.53 148.14 57.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.77 -46.69 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.9 -123.22 0.71 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -103.78 138.69 40.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.467 HD12 ' NE2' ' A' ' 22' ' ' GLN . 4.4 mm? -93.42 -32.27 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -71.89 -55.16 8.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -48.77 -45.31 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.467 ' NE2' HD12 ' A' ' 19' ' ' LEU . 13.9 pt20 -72.47 167.54 20.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.416 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 37.5 m-85 -106.33 160.44 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.402 ' CD2' ' O ' ' A' ' 24' ' ' PHE . 9.1 t80 -124.99 108.46 11.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -56.38 154.47 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -100.91 -32.11 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.7 m -70.97 -65.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -86.8 -44.86 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.64 40.39 4.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.47 177.41 5.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' HD1' ' NE2' ' A' ' 22' ' ' GLN . 4.0 m-70 -122.78 142.13 51.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.462 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . 99.4 m-85 -153.81 125.34 7.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -70.75 157.81 37.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.97 -32.3 80.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ASP . 9.9 ttm -79.76 -53.11 7.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 m -40.59 -41.68 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 9.5 mp -94.56 -17.32 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' MET . 1.7 m-20 70.28 43.73 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.6 mt -107.3 148.11 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.37 110.35 19.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.038 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.26 115.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.3 p -131.25 155.95 80.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.23 2.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tt -102.68 -49.28 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -62.39 -48.72 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -40.6 -42.54 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.1 100.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.43 46.2 52.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.557 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 67.1 t90 -45.45 155.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.687 0.279 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -125.22 125.66 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.557 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 3.4 p -71.9 157.7 89.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.652 0.739 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.76 -5.86 17.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 10.5 mm-40 -96.08 -18.26 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 68.7 m -113.1 -30.05 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -57.91 146.96 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.45 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 13.4 m -157.97 167.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.407 ' N ' ' HE3' ' A' ' 69' ' ' MET . 17.2 t -56.39 152.86 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -108.01 -18.62 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -83.55 -46.07 12.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.4 p -107.5 -30.81 8.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm 67.34 50.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -135.44 111.69 9.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.6 p -81.45 127.74 33.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.91 -55.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 21.4 mp0 -94.86 87.17 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.02 -53.47 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -48.64 -58.69 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -59.74 -41.79 91.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.42 ' HE3' ' C ' ' A' ' 56' ' ' VAL . 10.7 ttm -48.2 124.2 7.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.4 mt -87.59 111.72 21.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.403 ' CG1' ' OD1' ' A' ' 76' ' ' ASP . 89.5 t -86.65 100.38 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.5 t -48.06 125.94 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.73 25.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.8 m -129.43 -49.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 24.1 p -113.59 -28.01 7.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.403 ' OD1' ' CG1' ' A' ' 71' ' ' VAL . 36.4 t70 63.42 53.66 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -88.18 -59.71 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.97 113.27 2.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -146.58 120.68 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.941 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -60.8 177.73 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.0 p -89.88 -25.82 20.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.478 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 3.9 p90 -107.79 23.45 14.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 28.8 m -120.48 -17.04 8.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' PRO . 27.2 mt -77.1 160.33 29.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -130.16 101.11 18.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.7 Cg_endo -69.79 -178.2 16.26 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.351 -0.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.478 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -91.81 158.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.559 ' HE2' ' CD1' ' A' ' 96' ' ' TRP . 19.0 mmm -102.49 79.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 88' ' ' MET . 40.1 mmtm -32.94 -40.48 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.7 m -138.45 179.46 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.0 t -112.75 121.34 38.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.636 0.731 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 94' ' ' ASN . 53.5 Cg_endo -69.79 -2.51 10.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 92' ' ' PRO . 75.4 p 33.48 35.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 92' ' ' PRO . 4.5 m120 -127.31 45.63 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.39 69.79 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.463 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 88' ' ' MET . 67.6 t90 -70.18 150.78 46.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -129.17 128.9 44.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.2 p -72.22 143.89 48.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.441 ' CE ' HD12 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -40.83 -61.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' LYS . 3.0 t-20 -36.47 -38.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.4 m -81.4 -49.41 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 103' ' ' ILE . 9.4 mtp-105 -46.17 -34.67 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' A' ' 102' ' ' ARG . 38.1 mm . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.564 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.835 0.35 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -92.84 167.18 12.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 35.9 t -59.4 122.04 12.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -74.35 5.0 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.35 -40.2 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 p -120.05 -21.5 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' CYS . 41.0 t0 62.54 49.82 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.7 m -128.73 117.19 19.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.8 -7.3 20.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -27.98 -90.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.536 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -91.28 126.46 36.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.48 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.6 mm? -94.55 -42.58 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ASP . 7.6 mp -65.01 -53.87 39.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LEU . 1.5 m-20 -37.73 -52.2 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.569 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 2.3 pt20 -76.94 133.4 39.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.548 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 10.1 m-85 -68.12 178.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -133.01 124.09 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.9 t -84.31 154.96 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.5 p -104.35 -32.02 9.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.0 m -69.75 -67.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.5 p -84.52 -43.14 14.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.52 35.87 6.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -102.81 165.24 11.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HB1' ' A' ' 8' ' ' ALA . 25.5 m170 -116.82 149.79 39.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 11' ' ' ALA . 86.3 m-85 -151.46 121.18 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 28.6 m170 -64.07 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.14 -23.81 62.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.5 ttp -87.95 -46.05 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.9 m -52.9 -31.02 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -100.88 1.11 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 61.53 31.41 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.8 mt -107.68 137.0 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.6 102.27 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 p -61.79 107.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 23.7 p -105.72 158.17 32.95 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 111.177 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 53.8 Cg_endo -69.69 -4.21 13.52 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 HD23 ' CG2' ' A' ' 74' ' ' THR . 19.2 tp -105.63 -20.21 13.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.693 ' HZ3' ' N ' ' A' ' 74' ' ' THR . 1.1 ttmm -79.21 -53.0 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LYS . 80.1 mtp180 -35.22 -52.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.72 123.87 16.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.37 60.48 4.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.548 ' CE3' ' HB2' ' A' ' 23' ' ' PHE . 70.0 t90 -91.01 141.6 28.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.713 0.292 . . . . 0.0 110.908 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -125.7 109.36 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.6 p -43.85 156.59 0.3 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -10.96 29.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.58 -14.71 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 55' ' ' LYS . 66.6 m -115.64 -53.49 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 54' ' ' CYS . 13.5 pttp -31.9 138.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.436 ' C ' ' HE1' ' A' ' 69' ' ' MET . 5.1 m -141.21 178.84 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.3 t -69.55 153.13 43.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -110.05 -15.11 14.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -84.75 -41.88 15.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.2 p -113.46 -27.76 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 67.51 54.83 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 1.3 pt20 -140.41 123.98 17.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.3 p -95.31 114.21 25.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.42 -57.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 77.8 mm-40 -80.0 47.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.98 -61.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.9 m -40.59 -56.05 2.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -62.03 -34.47 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.436 ' HE1' ' C ' ' A' ' 56' ' ' VAL . 23.7 ttm -64.86 126.03 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.489 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 4.5 mp -83.16 144.61 29.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.3 t -111.5 101.93 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 42.0 t -52.79 129.82 31.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.56 24.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.693 ' N ' ' HZ3' ' A' ' 45' ' ' LYS . 27.2 m -130.58 -43.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.07 -38.31 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t70 73.32 54.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -86.4 -68.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.28 116.39 2.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -146.4 122.11 10.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 65' ' ' GLU . 38.1 m80 -59.25 137.69 57.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.7 p -45.04 -47.34 11.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 12.1 p90 -70.66 -23.83 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 39.9 m -83.46 21.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -117.65 142.51 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.453 ' CD ' ' O ' ' A' ' 85' ' ' GLN . 2.5 pp0? -124.23 106.56 30.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 171.03 55.79 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.351 0.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 88' ' ' MET . 3.2 t -81.83 153.37 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.446 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 94.7 mtp -101.68 100.63 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -47.33 -43.21 22.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.3 p -132.34 177.75 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.3 t -108.63 136.15 19.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.445 ' HD3' ' CE ' ' A' ' 88' ' ' MET . 54.0 Cg_endo -69.74 171.34 14.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.723 2.282 . . . . 0.0 112.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.1 t -122.88 -17.4 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -97.21 51.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.11 135.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.489 ' CE3' ' HB3' ' A' ' 70' ' ' LEU . 50.4 t90 -108.4 145.03 35.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -126.69 124.54 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.7 167.55 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 102' ' ' ARG . 26.7 tttt -67.57 -59.18 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -40.88 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 99' ' ' LYS . 7.3 m -95.72 -31.15 13.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 99' ' ' LYS . 6.5 ptm180 -51.22 -33.96 30.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.77 0.319 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -95.59 162.88 13.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.9 t -56.83 120.13 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.548 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -72.29 6.36 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.406 ' H ' ' C ' ' A' ' 10' ' ' CYS . 58.0 t -113.48 -53.15 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 19.0 p -102.35 -5.08 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 13' ' ' CYS . 3.5 p30 49.7 41.57 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -138.41 142.32 34.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.651 0.739 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.469 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.75 -51.6 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 32.99 -130.81 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -82.87 117.15 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.28 -29.42 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.65 -28.94 9.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -110.03 35.79 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.461 ' CG ' ' CD2' ' A' ' 33' ' ' HIS . 20.6 mt-30 -113.76 123.56 50.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.578 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 72.7 m-85 -71.33 162.83 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -136.57 115.75 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.8 t -71.35 153.79 42.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.8 p -98.18 -27.24 14.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.8 m -77.18 -65.34 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 p -87.03 -45.14 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.47 40.67 4.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -95.7 175.2 6.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.616 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 6.5 m-70 -126.32 149.93 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 4.4 m-85 -154.4 148.97 26.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CD2' ' CG ' ' A' ' 22' ' ' GLN . 34.1 m80 -89.54 155.37 19.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.8 -29.01 74.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.9 ttm -86.28 -44.04 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.0 m -52.14 -35.08 47.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD11 ' CD2' ' A' ' 32' ' ' TYR . 38.2 mt -110.45 1.09 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 54.69 44.41 28.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 40' ' ' ALA . 69.6 mt -102.21 141.3 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.407 ' N ' HG21 ' A' ' 39' ' ' ILE . . . -77.78 101.83 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.73 122.54 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.8 147.87 50.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.149 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.53 3.43 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.8 tp -103.14 -32.65 9.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 46' ' ' ARG . 27.5 ttmt -83.34 -49.69 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 45' ' ' LYS . 15.5 mtp-105 -33.0 -37.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . -74.46 122.69 23.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.06 60.58 3.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.589 ' CZ2' ' HA ' ' A' ' 51' ' ' CYS . 49.2 t90 -78.94 147.98 32.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -118.66 112.6 20.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.589 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 2.4 p -63.37 156.85 67.92 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.7 Cg_endo -69.79 -1.87 9.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -98.1 -17.98 18.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.8 m -118.41 -28.11 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -53.85 150.02 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 55' ' ' LYS . 27.5 m -160.93 162.63 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 59' ' ' ASN . 41.8 t -67.13 115.55 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.16 -17.97 60.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 57' ' ' CYS . 6.6 m120 -67.76 -54.1 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.1 p -102.89 -12.02 17.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 65.36 48.43 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -141.08 136.14 31.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.45 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 81.7 p -83.21 6.72 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.08 -176.27 34.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 42.68 53.6 4.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.43 -49.11 72.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -48.45 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' MET . 60.4 mttm -58.29 -41.0 83.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.1 ttt -33.03 132.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.475 HD12 ' CG2' ' A' ' 81' ' ' THR . 12.9 mt -104.02 107.46 18.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.1 t -82.89 114.14 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.51 127.0 29.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.23 26.41 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.4 m -132.01 -47.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.1 p -115.28 -32.98 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 65.04 54.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -88.88 -52.79 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.88 111.84 2.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.538 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -146.44 122.41 10.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.882 0.373 . . . . 0.0 110.93 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 46.8 m170 -66.02 167.93 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.475 ' CG2' HD12 ' A' ' 70' ' ' LEU . 24.4 p -80.76 -32.85 35.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.161 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -99.23 24.7 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 80' ' ' HIS . 52.8 m -124.89 -22.02 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.0 mt -69.64 164.99 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -137.2 101.64 9.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 174.61 39.79 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.316 0.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.09 160.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.471 ' HE1' ' NE1' ' A' ' 96' ' ' TRP . 6.9 mmm -105.99 77.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -35.02 -38.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 p -123.32 173.93 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 99.4 t -109.14 139.16 20.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.76 176.76 6.34 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.4 m -127.11 -55.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -53.48 -54.4 37.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.16 140.62 3.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.471 ' NE1' ' HE1' ' A' ' 88' ' ' MET . 40.5 t90 -111.68 158.5 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -153.98 131.45 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.5 p -69.09 168.91 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -73.57 -48.98 28.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -48.56 -23.06 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 10.0 m -95.85 -46.78 6.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 103' ' ' ILE . 1.4 ptm180 -47.46 -29.9 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' ARG . 41.2 mm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.811 0.338 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -99.43 176.73 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 6.5 t -69.36 132.36 46.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.551 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -86.91 6.33 32.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -113.29 -43.83 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.3 p -109.29 -27.47 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.435 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 9.3 t70 72.51 47.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.5 m -137.45 140.99 32.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.692 0.758 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLY . 54.1 Cg_endo -69.78 -51.12 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.94 -116.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.88 128.67 55.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.23 -40.31 10.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.23 -40.54 96.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -65.54 -46.1 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -78.76 147.41 33.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.538 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 90.5 m-85 -66.57 159.8 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -136.19 119.8 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.4 t -66.69 156.43 35.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -106.76 -30.82 8.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.5 m -71.39 -63.04 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -86.43 -41.43 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.63 39.11 5.07 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -97.22 176.99 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -133.95 144.3 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 60.0 m-85 -150.46 121.35 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -67.61 141.12 56.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.78 -35.4 17.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -50.34 16.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.9 m -50.21 -33.73 20.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 mt -97.46 -22.15 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 73.33 42.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.0 mt -113.22 139.94 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.76 103.44 6.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.34 128.54 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.33 151.14 63.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.33 4.54 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.412 HD21 ' CG2' ' A' ' 74' ' ' THR . 14.0 tp -102.44 -45.35 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.3 ttmp? -69.62 -52.5 25.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LYS . 17.5 mtp-105 -34.56 -45.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.08 101.7 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.57 49.74 5.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 91.4 t90 -83.56 152.61 24.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.698 0.285 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -139.02 134.63 33.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.442 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.8 p -71.16 157.68 89.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.75 -10.06 27.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 11.6 mm-40 -88.24 -21.98 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 88.3 m -110.73 -29.71 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.99 136.47 41.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.98 151.89 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.1 t -57.72 114.76 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -71.68 -19.17 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 83' ' ' CYS . 8.7 m120 -67.12 -56.36 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 28.6 p -108.7 12.96 25.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm 46.95 53.2 10.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 58.0 mm-40 -148.75 149.25 31.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 t -97.03 -10.78 25.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.29 -170.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 40.88 50.06 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -58.62 -57.92 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.4 m -41.29 -59.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -62.81 -40.25 96.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.7 ttt -42.66 132.11 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.7 mt -105.59 111.14 23.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.4 t -88.19 114.36 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.444 ' HB3' ' N ' ' A' ' 76' ' ' ASP . 10.4 t -57.55 164.66 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -103.53 -33.05 9.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.412 ' CG2' HD21 ' A' ' 44' ' ' LEU . 18.5 m -83.24 -65.94 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.8 p -88.18 -16.47 33.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.444 ' N ' ' HB3' ' A' ' 72' ' ' CYS . 5.2 m-20 43.62 54.84 5.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.66 -75.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.62 112.3 2.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -146.6 132.13 18.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 110.943 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 22.8 m170 -70.27 153.61 42.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.0 p -61.27 -57.22 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -64.8 -3.68 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 59' ' ' ASN . 26.0 m -101.53 -7.24 22.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' PRO . 67.6 mt -85.75 145.28 27.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -123.24 102.46 36.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.77 177.26 29.49 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.336 0.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.17 143.31 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.8 mmm -73.52 130.14 39.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -68.28 -32.59 72.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.9 m -146.56 172.5 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.98 129.3 27.54 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 150.43 68.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.236 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.3 t -71.38 -43.2 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -170.55 155.93 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.86 48.98 5.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -101.4 139.82 36.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -132.51 127.86 36.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.25 171.34 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' ARG . 58.5 tttp -63.8 -69.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 99' ' ' LYS . 2.2 t-20 -34.12 -37.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.8 m -75.74 -48.37 22.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 99' ' ' LYS . 5.8 ptt180 -57.29 -29.66 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 102' ' ' ARG . 26.4 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.807 0.336 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -138.3 162.29 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 14' ' ' ASP . 33.9 t -50.99 121.68 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.549 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -70.4 0.72 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.07 -40.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 14' ' ' ASP . 14.8 p -121.61 20.36 11.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 13' ' ' CYS . 1.3 p30 32.89 41.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.91 143.99 49.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.653 0.739 . . . . 0.0 110.867 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -44.28 2.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.7 -142.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -73.27 130.22 39.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -90.97 -27.51 18.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.3 mt -85.5 -55.57 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -49.36 -42.31 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.15 171.62 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.561 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 42.6 m-85 -109.74 150.57 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 25' ' ' CYS . 14.8 t80 -122.42 113.72 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.429 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 48.9 t -64.54 154.59 35.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.3 p -100.42 -28.84 12.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.7 m -74.78 -62.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 p -89.26 -45.47 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.13 41.65 5.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -91.73 178.87 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -124.09 131.32 53.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 93.3 m-85 -143.26 122.65 13.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -69.64 166.46 19.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.01 -22.7 62.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.8 mmt -94.82 -39.01 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 m -56.46 -35.94 68.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -100.08 -0.58 38.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 60.93 40.45 15.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 40' ' ' ALA . 80.7 mt -106.45 141.27 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' N ' HG23 ' A' ' 39' ' ' ILE . . . -84.17 106.26 15.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.4 124.96 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.421 ' CG2' ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -140.1 147.16 49.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.537 0.684 . . . . 0.0 111.15 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 1.26 4.61 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.428 ' CD2' HG23 ' A' ' 74' ' ' THR . 9.3 tp -101.48 -33.54 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' CE ' ' HB2' ' A' ' 76' ' ' ASP . 38.0 mttp -82.24 -55.61 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LYS . 61.4 mtp180 -33.78 -55.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.0 107.69 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.12 49.9 49.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 84.6 t90 -82.11 160.73 23.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.666 0.27 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 13.3 mt-30 -138.21 138.23 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.536 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.9 p -78.18 156.32 79.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -3.64 12.43 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.409 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 7.0 mm-40 -96.09 -15.02 22.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.504 ' O ' ' C ' ' A' ' 55' ' ' LYS . 86.9 m -121.01 -45.35 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 54' ' ' CYS . 18.2 ptmt -29.87 143.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.0 m -144.26 175.91 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.1 t -69.34 151.46 46.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -104.68 -13.37 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -88.05 -46.7 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.7 p -103.14 -31.72 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt 67.98 44.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -138.39 112.2 8.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.9 p -73.5 129.21 37.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -177.66 -58.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -96.1 109.21 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.7 -54.63 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.8 m -47.07 -62.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -57.41 -40.59 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.509 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 12.4 ttm -55.43 115.34 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.46 HD12 ' CE2' ' A' ' 96' ' ' TRP . 44.9 mt -71.04 140.28 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.428 HG13 ' NZ ' ' A' ' 55' ' ' LYS . 91.4 t -113.01 100.72 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.62 163.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -107.43 -25.63 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.428 HG23 ' CD2' ' A' ' 44' ' ' LEU . 33.1 m -86.87 -59.32 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 19.2 p -84.79 -27.47 26.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.47 ' HB2' ' CE ' ' A' ' 45' ' ' LYS . 26.5 t70 65.5 53.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -117.61 173.63 6.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.22 134.74 12.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -146.53 113.24 6.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 34.4 m170 -68.0 147.07 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.41 ' C ' HG23 ' A' ' 87' ' ' VAL . 35.4 p -62.7 -53.82 48.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -60.56 -29.97 69.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 80' ' ' HIS . 12.2 m -69.06 -24.36 64.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' PRO . 59.8 mt -75.66 144.02 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 2.6 pt20 -125.62 103.5 28.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.78 -179.14 18.37 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.349 -0.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.41 HG23 ' C ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -97.84 141.93 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.2 mmm -63.44 165.81 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -109.8 -41.53 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.9 m -132.69 177.34 7.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.1 t -107.34 120.45 47.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -173.83 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.629 2.22 . . . . 0.0 112.359 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 94' ' ' ASN . 7.0 t -116.61 103.27 10.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 93' ' ' THR . 68.4 m-80 33.02 43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -149.93 44.41 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CE2' HD12 ' A' ' 70' ' ' LEU . 57.1 t90 -110.89 155.59 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -139.18 119.4 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' CYS . 15.1 p -71.45 146.79 48.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -46.41 -31.93 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.65 -32.47 72.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 98' ' ' CYS . 9.3 m -89.04 -50.29 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 103' ' ' ILE . 19.4 ptt180 -42.99 -30.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 102' ' ' ARG . 23.0 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -96.03 175.64 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' CG2' ' A' ' 12' ' ' VAL . 1.7 t -58.96 141.04 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.77 5.95 50.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -120.69 -33.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.11 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 p -117.04 -18.14 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 5.1 t70 60.94 44.2 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.93 144.15 52.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.76 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.58 -119.22 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.489 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 17.3 m-20 -105.69 114.25 28.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.83 -42.77 57.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.91 -32.76 74.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 18' ' ' ASP . 85.7 m-20 -70.48 -44.96 66.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 15.4 pt20 -76.99 135.17 38.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.55 ' CZ ' HG22 ' A' ' 39' ' ' ILE . 38.1 m-85 -63.18 161.34 13.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -133.88 103.68 5.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.2 t -58.14 150.81 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.9 p -100.5 -29.24 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -71.23 -64.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -84.41 -39.08 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.97 36.44 6.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -100.72 170.53 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.586 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 3.6 m-70 -130.94 151.56 51.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.586 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 4.1 m-85 -153.55 133.03 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 33.1 m80 -72.58 138.05 46.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.66 -19.14 12.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 36' ' ' CYS . 4.6 ppp? -93.46 -43.4 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . 52.7 m -56.09 -35.02 66.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD11 ' CD2' ' A' ' 32' ' ' TYR . 13.6 mt -105.86 -11.02 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 70.67 37.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.55 HG22 ' CZ ' ' A' ' 23' ' ' PHE . 65.2 mt -100.81 137.5 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.15 119.48 25.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.22 115.87 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -125.78 154.64 73.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.68 29.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 tp -91.25 -51.23 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' ARG . 42.5 mttt -57.68 -60.99 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' LYS . 58.5 mtp85 -35.15 -41.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 73.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 81.73 36.74 18.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 49.5 t90 -40.12 159.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.713 0.292 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -135.35 109.16 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.552 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.9 p -55.24 156.0 8.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.46 14.08 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -95.23 -19.65 19.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.4 m -113.06 -26.56 8.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -53.22 138.21 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.1 m -144.64 175.77 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 52.8 t -69.47 149.95 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -105.58 -21.66 13.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -73.53 -48.82 30.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 p -103.36 -12.14 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 1.9 mmmp? 56.86 54.96 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 61' ' ' LYS . 81.5 mm-40 -154.37 158.6 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 p -112.72 120.07 40.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.18 -117.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -47.94 108.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.22 -50.43 6.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -49.1 -44.17 41.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -96.3 38.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.482 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 1.6 ttt -118.42 105.72 11.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 84' ' ' LEU . 90.8 mt -64.73 130.31 43.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.8 t -113.64 111.03 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.9 t -51.85 161.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.55 -35.25 8.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.1 m -75.46 -71.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.0 p -77.63 -32.13 53.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 70.77 54.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -112.06 139.47 47.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.38 137.23 25.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.506 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -147.19 113.81 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.482 ' CD2' ' HG3' ' A' ' 69' ' ' MET . 36.7 m80 -67.86 149.14 50.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.3 p -65.55 -49.53 68.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -68.78 -1.87 8.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 m -99.95 -14.26 18.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 70' ' ' LEU . 92.4 mt -89.35 141.23 28.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -118.99 107.15 42.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.76 175.86 34.87 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.38 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.18 136.14 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.3 mmm -75.41 143.38 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -87.51 -36.75 17.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 62.3 m -142.38 170.58 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.3 t -95.99 118.62 65.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.46 11.11 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.7 p -91.6 41.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -128.18 -57.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.41 109.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -107.37 140.8 39.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -128.32 128.38 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.6 p -74.5 147.57 41.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' CYS . 29.3 tptt -43.99 -63.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.433 ' C ' HD11 ' A' ' 103' ' ' ILE . 4.5 m-80 -38.16 -26.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' LYS . 9.9 m -94.4 -46.62 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 103' ' ' ILE . 56.4 mtp180 -40.15 -43.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.478 ' C ' ' O ' ' A' ' 102' ' ' ARG . 4.2 mp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -129.34 178.39 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 18.0 t -63.76 144.17 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -94.07 5.33 52.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -116.29 -49.33 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -101.4 -19.51 15.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 63.99 47.05 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -143.22 149.3 47.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.49 -128.65 5.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' OD2' ' OD2' ' A' ' 21' ' ' ASP . 7.1 t0 -102.85 102.8 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 19' ' ' LEU . 4.3 mm? -66.45 -23.51 66.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.73 -27.85 69.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD2' ' OD2' ' A' ' 18' ' ' ASP . 7.1 m-20 -108.68 31.25 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.525 ' CG ' ' CD2' ' A' ' 33' ' ' HIS . 16.3 mt-30 -118.32 133.27 56.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.571 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 65.5 m-85 -83.22 138.71 33.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -112.91 139.47 48.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.8 t -95.11 149.94 20.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.1 p -97.1 -22.61 16.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 m -80.6 -70.79 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 19.6 p -83.09 -46.58 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.428 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 98.69 44.83 2.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -100.67 172.37 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.597 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 3.4 m-70 -126.11 149.9 48.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 15.2 m-85 -153.84 138.65 17.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CD2' ' CG ' ' A' ' 22' ' ' GLN . 49.9 m80 -83.14 150.6 26.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.77 -26.54 65.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.2 mmt -89.96 -37.89 14.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.333 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.7 m -58.06 -35.07 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD11 ' CD2' ' A' ' 32' ' ' TYR . 15.6 mt -107.81 -9.8 15.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 70.78 38.52 1.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 40' ' ' ALA . 63.8 mt -101.22 138.18 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 39' ' ' ILE . . . -87.06 106.25 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.442 ' CG1' ' NH2' ' A' ' 46' ' ' ARG . 95.1 t -50.81 122.3 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 p -138.91 155.04 73.2 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.575 0.702 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 3.58 2.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.307 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.3 tp -102.49 -51.3 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' ARG . 17.7 mtmt -61.53 -57.81 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 67.2 mtt180 -34.59 -44.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.96 85.19 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.99 37.38 1.85 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 64.8 t90 -88.23 141.22 28.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.73 0.3 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -130.83 108.67 10.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.6 p -41.05 157.15 0.2 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.443 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.5 Cg_endo -69.8 -7.08 20.17 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -96.07 -9.99 29.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.5 m -125.66 -23.76 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' CD ' ' HA ' ' A' ' 52' ' ' PRO . 18.8 ptmt -51.89 152.0 3.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 55' ' ' LYS . 30.4 m -158.53 168.03 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 17.6 t -55.92 152.57 9.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 76.7 mm-40 -104.56 -14.17 15.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -87.19 -56.34 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' A' ' 62' ' ' GLN . 22.6 p -95.29 -25.29 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.37 47.99 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HG2' ' SG ' ' A' ' 60' ' ' CYS . 4.5 pt20 -136.48 126.25 25.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 p -89.15 128.5 35.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.42 120.48 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' SER . 9.2 p-10 -96.98 -61.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' ASP . 56.7 m -37.78 -62.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.0 -40.92 77.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.2 ttm -50.96 116.15 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 mt -84.84 103.92 14.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.411 HG13 ' NZ ' ' A' ' 55' ' ' LYS . 94.9 t -76.55 115.59 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.4 t -65.6 163.8 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -104.56 -38.17 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 m -73.58 -60.03 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.08 -27.2 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.84 42.67 28.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -85.35 -65.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.16 124.67 2.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 36.6 m-85 -146.88 125.38 12.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 30.2 m170 -63.49 170.95 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.3 p -80.97 -28.2 35.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.467 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -103.93 25.83 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.5 m -124.0 -16.97 6.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' PRO . 23.4 mt -78.79 152.02 31.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 17.6 pt20 -123.91 101.64 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.2 Cg_endo -69.77 175.88 34.84 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.294 0.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -85.46 159.99 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 89' ' ' LYS . 7.5 mmm -102.98 70.66 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -35.57 -34.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' MET . 58.2 m -126.05 174.83 8.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.415 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 86.3 t -109.75 137.53 20.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.667 0.746 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.415 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.7 174.08 9.99 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.3 m -86.22 -63.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.47 140.78 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.72 65.83 1.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -107.4 158.05 17.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -148.42 125.18 11.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -72.18 156.58 39.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 102' ' ' ARG . 13.6 tttp -52.84 -61.09 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -40.05 -23.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' LYS . 9.3 m -95.99 -33.26 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.9 ptp180 -54.33 -26.06 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -70.01 145.23 51.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -50.98 125.93 14.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.586 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -74.2 5.35 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 t -116.33 -37.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 14' ' ' ASP . 14.4 p -124.21 19.26 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 13' ' ' CYS . 29.1 t70 33.01 42.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.95 142.1 44.19 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.684 0.755 . . . . 0.0 110.864 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.54 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.45 -117.71 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -108.38 125.38 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.6 mt -88.07 -49.11 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.12 -25.12 67.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.77 -36.49 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.408 ' CD ' ' HB3' ' A' ' 31' ' ' HIS . 14.1 pt20 -84.61 149.04 26.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.593 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 31.1 m-85 -75.46 157.62 33.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -130.54 105.48 7.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.0 t -51.32 146.74 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.1 p -102.07 -16.59 16.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -83.51 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.4 p -84.29 -39.56 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.27 30.23 7.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 9.0 mm-40 -95.51 159.56 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 2.2 m80 -120.97 134.66 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.586 ' CE2' ' HB1' ' A' ' 11' ' ' ALA . 68.5 m-85 -136.25 129.71 31.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -60.21 162.39 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -82.11 -21.82 60.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ttp -95.34 -44.13 7.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.4 m -52.67 -28.36 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.9 mt -107.05 -6.02 17.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 70.57 33.55 2.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' GLY . 60.3 mt -102.63 136.73 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.22 118.56 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.29 97.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.6 p -115.3 155.38 47.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.93 2.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.475 ' CD2' ' C ' ' A' ' 44' ' ' LEU . 3.6 tt -101.84 -50.17 3.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 13.2 mtmt -62.87 -56.12 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 mtp-105 -39.97 -34.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.02 81.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.0 42.8 35.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 85.5 t90 -63.11 134.53 56.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -115.72 123.82 49.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.586 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.1 p -50.63 158.89 0.99 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.4 Cg_endo -69.79 -11.09 30.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.402 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 7.2 mm-40 -89.31 -16.52 30.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 80.6 m -114.16 -24.72 8.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 77' ' ' LYS . 8.5 tttt -68.42 140.03 55.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 11.0 m -157.42 169.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.456 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 45.3 t -55.61 126.07 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -86.28 -2.0 58.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -89.2 -53.52 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.5 p -105.27 2.24 28.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 49.83 54.89 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -147.33 160.16 42.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.42 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 54.5 p -118.44 20.79 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 63' ' ' SER . . . -53.72 -106.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -45.16 114.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.5 -45.52 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.9 t -59.14 -60.46 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -58.21 -38.87 77.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.0 ttm -41.56 103.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.77 105.65 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.415 HG12 ' NZ ' ' A' ' 55' ' ' LYS . 84.1 t -88.99 108.12 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.9 t -58.13 158.76 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -102.97 -40.32 6.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.433 HG22 ' CD1' ' A' ' 44' ' ' LEU . 31.8 m -64.88 -65.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 20.4 p -86.05 -42.1 14.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 72.68 49.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 25.2 mmmt -87.04 -71.3 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 124.26 115.18 2.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -146.7 132.7 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.929 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 19.8 m170 -73.11 143.65 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.7 p -50.56 -51.39 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.526 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 34.5 p90 -67.64 -16.35 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.526 ' SG ' ' CE1' ' A' ' 82' ' ' PHE . 75.1 m -95.99 18.65 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.8 mt -113.19 153.57 28.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -129.52 104.08 17.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.639 0.733 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 178.77 24.22 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.318 -0.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 88' ' ' MET . 2.8 t -85.15 155.21 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.479 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 18.8 mmm -102.28 69.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.43 ' NZ ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -38.76 -27.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 88' ' ' MET . 72.5 m -128.62 173.76 10.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.0 134.99 19.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.555 ' HG3' ' CD1' ' A' ' 96' ' ' TRP . 53.8 Cg_endo -69.83 115.82 4.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 94' ' ' ASN . 76.3 p -34.07 -51.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 93' ' ' THR . 10.2 m120 -171.82 166.69 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.73 60.14 7.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.555 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 72.3 t90 -106.93 150.07 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -142.46 127.67 18.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.8 p -70.15 148.94 48.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -48.65 -52.04 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -48.09 -21.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.0 m -94.93 -47.87 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 103' ' ' ILE . 3.5 ptm180 -50.56 -31.87 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 102' ' ' ARG . 11.0 mm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.796 0.332 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -132.45 176.88 8.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 34.5 t -70.52 137.08 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.574 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -86.78 5.43 36.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.6 t -113.94 -55.71 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 14' ' ' ASP . 19.0 p -97.38 -25.63 15.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 29.7 m-20 70.72 47.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.9 m -137.9 149.86 65.64 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.66 0.743 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.77 -51.68 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 31.13 -114.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.521 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.78 133.09 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.461 ' N ' HD22 ' A' ' 19' ' ' LEU . 4.2 mm? -95.53 -46.3 6.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 20' ' ' LEU . 10.5 mp -72.62 -54.06 10.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -42.21 -46.16 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.456 ' NE2' HD11 ' A' ' 19' ' ' LEU . 12.6 pt20 -70.87 129.07 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.507 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 29.9 m-85 -65.84 152.45 44.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 30.1 t80 -119.23 120.59 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.8 t -71.71 157.18 38.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.7 p -102.28 -31.28 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -73.13 -62.46 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.0 -46.02 11.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.461 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 92.21 40.5 5.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -100.72 179.66 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 31' ' ' HIS . 1.2 m-70 -128.95 139.65 52.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CE2' ' HB1' ' A' ' 11' ' ' ALA . 82.0 m-85 -143.76 124.45 14.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 27.5 m80 -70.3 148.56 48.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.57 -33.18 70.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -47.4 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -53.19 -36.53 61.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.482 HD12 ' CB ' ' A' ' 32' ' ' TYR . 11.2 mt -95.15 -22.34 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 74.96 42.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.3 mt -110.86 149.16 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.36 97.78 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -46.69 111.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.3 p -124.83 154.19 70.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 4.11 2.4 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -104.03 -44.93 4.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 46' ' ' ARG . 22.4 mttm -64.73 -53.54 45.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 45' ' ' LYS . 47.2 mtp85 -32.08 -55.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.01 123.07 25.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.56 54.59 32.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.507 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 67.7 t90 -95.42 164.13 12.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 8.1 mt-30 -149.84 137.5 20.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.422 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 3.5 p -76.76 156.73 82.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.6 Cg_endo -69.77 -1.47 8.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 4.2 mm-40 -97.56 -20.83 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 96.7 m -112.97 -34.86 5.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' C ' HG13 ' A' ' 56' ' ' VAL . 2.8 ttpm? -51.07 134.35 26.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.425 HG13 ' C ' ' A' ' 55' ' ' LYS . 3.5 m -138.75 166.78 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 47.3 t -57.23 153.63 11.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -105.28 -21.42 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -78.37 -58.24 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.9 p -98.18 -30.19 12.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 57' ' ' CYS . 37.6 mmtt 66.88 48.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -131.84 108.65 9.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.9 p -76.86 127.45 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.11 -59.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -86.12 92.29 8.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.66 -58.37 3.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -47.47 -65.67 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -47.43 -48.15 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.605 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 2.9 tpp -45.16 111.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD2' HG11 ' A' ' 91' ' ' VAL . 18.2 mt -79.62 117.93 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.6 t -94.4 130.5 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.2 t -70.05 163.66 25.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 2.0 m-20 -101.43 -25.42 13.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.0 m -92.07 -68.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 16.0 p -80.16 -17.77 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 t70 58.79 46.19 14.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 1.3 mmpt? -93.02 164.76 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.6 128.03 8.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 96.2 m-85 -147.34 114.94 6.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.903 0.382 . . . . 0.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 27.1 m170 -57.79 135.23 56.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.0 p -48.11 -40.81 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 6.7 p90 -75.04 -26.1 59.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 89.8 m -86.99 25.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.48 HD11 ' CG ' ' A' ' 88' ' ' MET . 71.1 mt -108.62 151.05 26.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 44.3 tt0 -128.47 101.92 20.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 84' ' ' LEU . 54.1 Cg_endo -69.73 -177.06 13.67 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.339 -0.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 84' ' ' LEU . 5.9 t -83.95 150.32 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.48 ' CG ' HD11 ' A' ' 84' ' ' LEU . 14.1 mmm -97.43 141.06 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.45 -42.33 9.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.4 p -135.97 175.23 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 70' ' ' LEU . 58.7 t -103.39 123.73 40.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 106.25 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 p -59.04 -31.46 68.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.415 ' CG ' ' N ' ' A' ' 95' ' ' GLY . 1.8 p30 -64.92 -48.86 72.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' A' ' 94' ' ' ASN . . . 162.2 142.06 3.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.461 ' CD1' ' HE1' ' A' ' 88' ' ' MET . 53.2 t90 -111.66 153.24 26.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -139.1 117.72 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.1 p -69.33 166.41 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -67.8 -38.08 82.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 100' ' ' ASN . 41.0 t-20 -59.67 -26.39 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 16.4 m -92.47 -53.38 4.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 103' ' ' ILE . 2.3 ptp180 -42.72 -29.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 102' ' ' ARG . 21.3 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.794 0.33 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -91.83 172.46 8.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 6.4 t -64.65 130.26 42.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.449 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . . . -86.01 6.0 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.3 t -112.64 -42.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.5 -28.02 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 14.3 t0 71.29 50.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.1 m -141.45 138.74 17.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.76 -50.07 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 36.69 -124.1 0.91 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.57 135.06 37.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.333 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 19' ' ' LEU . 4.4 mm? -86.45 -45.99 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.64 -38.12 89.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -49.31 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.515 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 26.1 pt20 -85.93 150.49 24.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.525 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 70.2 m-85 -81.26 168.26 18.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -136.57 111.13 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.7 t -62.09 157.4 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.6 p -103.87 -37.85 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.5 m -66.44 -62.98 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.4 p -87.83 -41.95 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.51 37.55 6.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 22.5 mm100 -93.44 165.29 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -119.61 147.17 44.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CG ' HD12 ' A' ' 37' ' ' LEU . 86.6 m-85 -156.93 127.43 6.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.515 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 43.5 m80 -75.92 151.09 37.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.16 -29.95 72.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 36' ' ' CYS . 9.2 ptm -84.37 -34.33 23.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 35' ' ' MET . 12.8 m -66.47 -38.1 86.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 32' ' ' TYR . 12.4 mt -96.97 -18.87 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t0 74.59 43.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mt -111.24 146.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.45 119.95 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.17 119.38 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.3 p -133.96 152.65 78.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.688 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.59 8.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' C ' HD11 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -98.51 -53.93 3.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' ARG . 27.0 mttp -58.43 -53.0 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . 42.1 mtt180 -33.62 -42.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.66 117.48 7.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 41.53 50.13 4.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.525 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 49.1 t90 -70.47 127.06 31.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -105.08 126.81 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.472 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 3.6 p -58.53 158.58 14.69 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.2 Cg_endo -69.87 -3.02 11.25 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -97.84 -11.04 23.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' LYS . 87.6 m -120.57 -42.48 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' CYS . 8.2 pttm -34.4 135.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 31.8 m -140.75 172.09 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' LYS . 49.1 t -67.27 108.43 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -66.19 -20.77 66.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.05 -56.61 7.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 25.7 p -105.78 15.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' CYS . 25.2 mmtp 39.66 47.6 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.409 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 45.3 mm-40 -146.8 162.87 37.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.462 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 12.5 p -129.57 130.97 46.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.74 -118.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -39.13 105.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -70.38 -40.94 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -68.59 -51.24 44.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -59.32 -45.24 91.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.61 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -49.62 146.55 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.8 mt -112.41 151.07 30.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.434 HG11 ' N ' ' A' ' 72' ' ' CYS . 61.3 t -120.11 140.12 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.434 ' N ' HG11 ' A' ' 71' ' ' VAL . 6.5 t -88.49 136.89 32.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -88.42 8.09 29.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.7 m -117.81 -61.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.96 -22.06 21.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.1 t0 68.57 52.48 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -111.63 172.54 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.43 134.71 12.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.519 ' HB2' ' CH2' ' A' ' 96' ' ' TRP . 48.5 m-85 -147.49 118.71 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.966 0.412 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.61 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 33.3 m170 -65.33 149.88 49.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 p -68.52 -19.9 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -110.28 27.27 9.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.8 m -125.39 -17.75 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' PRO . 9.6 mt -78.1 149.21 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 37.2 mt-30 -122.23 102.09 40.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.2 Cg_endo -69.77 176.53 32.27 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.328 0.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -88.48 164.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.526 ' HE2' ' CD1' ' A' ' 96' ' ' TRP . 2.4 mmt -100.33 93.3 5.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -46.25 -40.48 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.5 m -130.24 176.71 7.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.9 t -107.18 129.13 24.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.586 0.708 . . . . 0.0 111.208 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 150.9 68.71 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -73.48 94.34 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m120 43.44 43.66 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -150.3 61.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.526 ' CD1' ' HE2' ' A' ' 88' ' ' MET . 54.7 t90 -110.12 150.26 28.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -151.43 121.77 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.08 171.64 7.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -71.85 -56.82 5.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.95 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.479 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 2.5 t-20 -41.41 -25.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 99' ' ' LYS . 22.1 m -96.13 -38.87 9.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 103' ' ' ILE . 5.8 ptt180 -49.26 -30.0 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 3.5 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.743 0.306 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.403 ' ND2' ' HD3' ' A' ' 16' ' ' PRO . 25.6 m-20 -110.31 175.51 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 14.0 t -50.63 150.19 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.73 -12.36 23.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -95.71 -56.39 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.41 -31.47 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.452 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.7 t70 74.95 47.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -139.36 151.35 66.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.81 -51.52 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 32.88 -124.62 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.442 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.14 130.37 37.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.0 -38.87 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.69 -53.56 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -50.78 -45.9 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.46 ' OE1' ' ND1' ' A' ' 31' ' ' HIS . 3.1 pt20 -69.46 156.64 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.579 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 18.7 m-85 -93.02 169.29 10.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -135.65 111.06 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.56 156.56 29.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -100.78 -32.4 10.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.9 m -72.29 -64.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.6 p -86.45 -43.63 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.67 40.22 6.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -93.43 171.54 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 8' ' ' ALA . 18.4 m170 -112.74 139.13 48.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.512 ' CG ' HD12 ' A' ' 37' ' ' LEU . 89.8 m-85 -145.46 121.17 10.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.457 ' CD2' HE21 ' A' ' 22' ' ' GLN . 41.2 m80 -76.71 152.44 35.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.21 -27.1 64.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.7 mmt -87.93 -45.52 10.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.4 m -51.12 -36.45 40.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.512 HD12 ' CG ' ' A' ' 32' ' ' TYR . 12.6 mt -104.03 -0.06 29.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 56.38 41.53 28.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -103.39 151.68 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.04 100.8 12.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.8 t -41.33 131.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 t -140.99 146.23 42.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.76 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 tp -103.27 -48.77 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 54.3 mttt -64.23 -49.92 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 12.9 mtp-105 -32.81 -42.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.74 99.01 12.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.16 50.89 4.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 77.9 t90 -86.3 139.7 30.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.303 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -122.89 135.58 54.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.441 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 2.5 p -79.15 157.37 75.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 54.4 Cg_endo -69.75 -3.91 12.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 15.6 mm-40 -97.44 -16.71 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 55' ' ' LYS . 98.4 m -119.29 -51.27 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.1 pttm -29.51 142.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 63' ' ' SER . 28.4 m -145.15 176.59 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.45 118.93 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -84.41 11.05 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -106.37 -33.23 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 22.8 p -131.71 -1.08 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 52.76 54.14 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.435 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 25.3 mt-30 -145.34 129.93 17.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.475 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 43.8 t -117.69 121.96 42.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.91 -64.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.35 80.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -57.78 -57.11 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 p -45.29 -61.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -56.66 -39.06 73.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.6 ttm -58.77 132.49 54.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 97.5 mt -100.83 119.0 38.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.7 t -92.74 106.5 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.0 t -67.26 159.14 29.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 24.4 t0 -101.05 -41.8 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -62.97 -60.89 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 76' ' ' ASP . 18.3 p -89.66 -45.54 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.413 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 33.8 t0 72.06 54.97 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -103.36 -67.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.0 122.27 2.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -146.83 118.49 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -56.19 142.08 38.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.3 p -49.05 -50.05 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -67.55 -25.42 65.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 54.9 m -83.78 23.63 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.467 HD11 ' CG ' ' A' ' 88' ' ' MET . 97.0 mt -117.71 137.08 52.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -122.1 105.24 37.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 173.83 42.72 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.732 -1.778 . . . . 0.0 112.326 -0.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.2 t -84.42 148.93 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.467 ' CG ' HD11 ' A' ' 84' ' ' LEU . 45.6 mmm -86.92 92.06 8.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 0.1 OUTLIER -45.47 -38.54 6.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.2 m -124.62 176.23 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 92' ' ' PRO . 98.6 t -110.25 137.54 20.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.741 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.583 ' HG3' ' CD1' ' A' ' 96' ' ' TRP . 53.7 Cg_endo -69.76 152.18 69.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.3 p -125.64 29.93 5.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 95' ' ' GLY . 53.4 t30 -173.39 108.43 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 94' ' ' ASN . . . 32.31 93.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.583 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 30.4 t90 -81.35 158.57 24.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 13.6 mmtm -131.85 110.26 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.71 147.52 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 101' ' ' CYS . 2.5 ttmm -40.9 -65.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 99' ' ' LYS . 25.3 t-20 -35.93 -29.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' A' ' 99' ' ' LYS . 33.7 m -94.97 -44.82 7.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -40.82 -38.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 4.2 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.773 0.321 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -104.61 177.46 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.7 t -67.56 140.01 56.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.41 6.08 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.61 -42.17 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -109.97 -25.29 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 31.5 m-20 68.25 49.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 m -139.91 145.73 43.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.362 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.3 -112.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.64 135.37 50.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -86.24 -44.68 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' CD1' ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -68.06 -52.88 30.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -45.29 -41.79 9.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 14.3 pt20 -84.06 143.22 29.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.447 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 53.3 m-85 -75.88 169.86 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -136.29 124.56 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 t -76.83 155.24 33.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 p -101.44 -32.15 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.2 m -72.02 -66.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.8 p -83.42 -41.77 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.73 42.53 5.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.12 177.91 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.942 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 12.4 m-70 -123.9 148.47 46.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 76.8 m-85 -156.57 122.53 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 40.0 m80 -68.5 168.18 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.21 -26.09 62.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.445 ' HG3' ' N ' ' A' ' 36' ' ' CYS . 11.9 ptm -88.24 -35.22 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 35' ' ' MET . 1.8 m -60.87 -34.07 74.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -111.03 -2.19 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 61.62 42.9 10.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -101.32 143.04 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.14 109.78 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.4 t -66.13 106.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.5 p -124.24 152.62 67.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -3.39 11.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.686 2.257 . . . . 0.0 112.396 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' CG2' ' A' ' 74' ' ' THR . 7.1 tp -105.44 -39.51 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 46' ' ' ARG . 35.0 ttmt -65.43 -49.82 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 45' ' ' LYS . 70.8 mtp180 -33.68 -46.56 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.89 132.59 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.88 39.24 89.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.447 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 90.5 t90 -90.25 162.86 15.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.733 0.301 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -158.41 137.46 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.44 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 4.2 p -68.69 157.0 89.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.4 Cg_endo -69.8 -1.71 8.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -98.0 -21.94 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 99.7 m -112.53 -33.65 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -56.37 146.66 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.2 m -157.01 169.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.4 t -56.57 153.28 10.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -108.45 -16.55 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -83.61 -46.08 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.5 p -109.79 -28.42 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp 66.27 52.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -135.68 108.68 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.5 p -76.5 166.43 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.31 -84.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.52 83.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -73.65 -53.31 10.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -40.97 -65.88 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -55.24 -42.58 73.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 1.3 tpp -53.03 136.19 35.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 84' ' ' LEU . 3.1 mt -94.8 150.78 19.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.8 t -131.07 98.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.8 t -47.83 164.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -102.89 -32.66 9.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.458 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 27.6 m -84.3 -70.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.79 -20.0 50.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 56.32 53.55 8.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -91.95 -174.36 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.84 117.23 1.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 34.2 m-85 -145.47 118.26 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.899 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.593 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 35.2 m170 -61.33 136.3 58.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.4 p -48.29 -35.27 11.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 14.8 p90 -81.66 -20.52 39.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.2 m -89.3 25.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 70' ' ' LEU . 80.5 mt -112.85 141.1 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.3 104.76 40.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.8 Cg_endo -69.78 173.1 46.02 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.318 0.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 88' ' ' MET . 2.9 t -78.2 153.65 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.446 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 4.7 mtt -86.75 108.47 18.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -31.51 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 p -137.56 174.17 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.2 t -108.16 130.61 22.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.562 ' HG3' ' CD1' ' A' ' 96' ' ' TRP . 53.3 Cg_endo -69.77 168.56 21.22 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.1 m -134.6 -35.68 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 95' ' ' GLY . 0.9 OUTLIER -86.45 87.41 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 94' ' ' ASN . . . 31.99 91.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.562 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 58.2 t90 -67.07 145.29 55.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -122.94 118.16 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.5 p -72.46 167.6 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 101' ' ' CYS . 18.8 tptm -61.93 -62.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -38.87 -25.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 99' ' ' LYS . 13.5 m -93.83 -37.37 11.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 99' ' ' LYS . 2.0 ptm180 -48.79 -24.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 1.8 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB2' ' CG ' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.816 0.341 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.04 153.76 18.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 17.8 t -60.55 123.67 18.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.478 ' HB1' ' CE1' ' A' ' 32' ' ' TYR . . . -72.97 5.8 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.3 t -115.44 -49.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 10' ' ' CYS . 17.4 p -107.24 -21.63 12.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 9.1 m-20 64.76 53.08 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -143.2 139.09 16.25 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.721 0.772 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.79 -52.66 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.06 -109.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.41 129.74 48.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' N ' HD22 ' A' ' 19' ' ' LEU . 4.0 mm? -95.71 -30.46 13.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.93 -31.17 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.91 37.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -117.4 116.43 27.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.576 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 53.1 m-85 -66.0 151.0 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -125.06 114.85 19.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.0 t -76.49 156.22 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.3 p -98.41 -32.66 11.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -72.83 -67.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 20.4 p -84.63 -46.34 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 90.45 43.77 4.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -98.66 178.75 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 8' ' ' ALA . 9.1 m-70 -122.63 141.75 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.478 ' CE1' ' HB1' ' A' ' 11' ' ' ALA . 94.7 m-85 -146.9 144.76 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -81.28 161.6 23.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -76.38 -28.7 59.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.545 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.7 ttt -88.2 -44.94 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.4 m -50.07 -39.36 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD11 ' CG ' ' A' ' 32' ' ' TYR . 28.3 mt -101.52 8.98 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 52.77 36.9 22.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' GLY . 78.6 mt -101.08 146.48 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . . . -97.76 98.03 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.9 t -48.01 123.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 44' ' ' LEU . 31.0 p -139.74 155.16 71.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 111.122 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 9.74 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.341 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -102.58 -47.4 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 46' ' ' ARG . 4.9 mtmp? -69.98 -52.48 23.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 45' ' ' LYS . 49.8 mtt-85 -30.47 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . -76.7 97.75 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.76 53.06 48.4 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.586 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 60.8 t90 -71.62 159.29 34.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.719 0.295 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.456 ' O ' ' CE2' ' A' ' 49' ' ' TRP . 7.2 mt-30 -128.0 140.97 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.586 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.6 p -87.71 157.37 52.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.465 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.6 Cg_endo -69.75 -2.58 10.41 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 23.9 mt-10 -97.53 -18.31 19.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' C ' ' A' ' 55' ' ' LYS . 71.4 m -118.73 -43.7 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 54' ' ' CYS . 8.9 ptmm? -30.31 142.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.0 m -146.81 175.35 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.064 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 37.2 t -72.36 149.21 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.553 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 23.5 mm-40 -109.33 -11.57 14.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -85.75 -32.96 21.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.57 -21.82 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 57' ' ' CYS . 24.1 mmtp 63.15 54.81 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.27 128.61 14.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.3 p -98.59 124.85 43.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.19 -71.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -81.48 104.01 11.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -82.05 -50.05 9.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.3 p -53.62 -44.65 69.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -83.27 40.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.601 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 2.1 tpp -133.11 139.59 47.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' A' ' 96' ' ' TRP . 75.1 mt -108.19 138.75 43.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 81.2 t -110.55 118.98 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 40.2 t -69.36 127.98 34.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.97 24.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 m -132.17 -53.21 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.7 p -105.61 -26.84 11.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 72.93 44.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -103.86 102.55 12.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.8 135.46 42.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 28.9 m-85 -146.97 113.92 6.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.936 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.601 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 25.2 m170 -57.74 136.83 56.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.6 p -47.36 -39.56 15.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 10.7 p90 -76.23 -24.43 54.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.0 m -85.13 25.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 86' ' ' PRO . 97.9 mt -122.27 141.33 51.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -119.74 107.95 39.77 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.74 172.9 46.77 Favored 'Cis proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.374 -0.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -80.37 148.42 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.7 mmt -88.49 147.97 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -101.76 -42.5 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.7 p -131.83 171.01 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.63 124.08 54.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.709 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.449 ' HD2' ' CD2' ' A' ' 70' ' ' LEU . 53.2 Cg_endo -69.8 163.25 38.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.6 m -121.35 -46.75 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -49.09 -52.11 27.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 164.69 126.22 0.81 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.503 ' CE2' HD11 ' A' ' 70' ' ' LEU . 71.6 t90 -103.08 147.12 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.57 130.26 19.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.4 p -76.51 143.48 40.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 100' ' ' ASN . 17.6 ttmm -41.6 -60.43 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 99' ' ' LYS . 27.7 t30 -34.99 -36.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' LYS . 62.3 m -89.23 -42.75 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 103' ' ' ILE . 15.9 mtp180 -49.41 -37.12 24.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 102' ' ' ARG . 29.1 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -147.83 127.77 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -70.57 -48.12 56.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.9 51.48 45.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -118.96 41.4 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.379 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -101.66 120.18 39.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.45 153.53 11.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.558 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . 71.68 26.81 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.18 170.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 3.7 t -55.04 129.24 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.97 6.21 26.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.5 t -111.75 -48.17 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.2 p -103.7 -27.27 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 21.6 t0 73.9 47.23 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.4 t -140.82 145.97 42.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.641 0.734 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.82 -41.77 3.91 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.68 2.254 . . . . 0.0 112.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 33.6 -129.75 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.92 131.51 42.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.86 -50.76 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 20' ' ' LEU . 4.4 mm? -61.44 -43.18 99.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.26 -49.03 73.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' OE1' ' CB ' ' A' ' 31' ' ' HIS . 25.4 pt20 -82.82 148.65 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.511 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 21.4 m-85 -78.99 164.54 24.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -131.28 116.18 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.1 t -66.23 157.08 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.0 p -103.42 -34.47 8.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.9 m -68.41 -65.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.7 p -83.72 -42.32 16.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.96 36.74 5.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -102.02 169.89 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 4.9 m170 -125.77 151.18 47.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CG ' HD12 ' A' ' 37' ' ' LEU . 74.9 m-85 -151.85 121.42 6.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -62.71 152.62 35.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.29 -29.64 73.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.0 mmt -82.93 -40.26 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.89 -39.42 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.496 HD12 ' CG ' ' A' ' 32' ' ' TYR . 11.6 mt -102.98 1.24 33.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 56.76 39.79 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -100.38 147.2 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.96 109.34 20.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.75 120.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.2 p -131.42 155.2 81.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.01 15.18 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' CD2' HG22 ' A' ' 74' ' ' THR . 19.1 tp -105.16 -43.36 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -57.96 -49.04 78.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -40.31 -56.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.29 117.83 17.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.26 37.81 35.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.511 ' CZ3' ' HB2' ' A' ' 23' ' ' PHE . 24.8 t90 -81.35 142.54 32.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.709 0.29 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -136.13 125.04 24.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 53' ' ' GLU . 2.4 p -60.57 155.28 50.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -1.5 8.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 5.0 mm-40 -96.86 -24.3 15.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 85.3 m -108.17 -35.43 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -47.84 132.04 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.0 m -130.99 173.38 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 61' ' ' LYS . 51.6 t -74.92 112.55 11.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -72.12 1.16 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -96.19 -49.62 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.7 p -112.79 -21.66 11.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 62.96 54.86 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -139.69 109.71 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 p -83.63 119.87 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.16 -56.32 0.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -78.68 49.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -49.56 -47.7 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -49.08 -54.93 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -83.5 41.49 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 ttt -124.18 112.4 17.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.2 mt -79.76 136.55 36.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.39 110.06 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.9 t -50.61 161.95 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.85 -3.98 25.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.468 HG22 ' CD2' ' A' ' 44' ' ' LEU . 92.3 m -112.5 -71.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.169 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.42 -32.6 72.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 72.13 46.83 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 7.3 mmmm -108.3 141.08 40.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 79' ' ' TYR . . . -87.05 132.88 11.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 34.3 m-85 -146.3 121.99 10.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.923 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 28.6 m170 -68.08 135.54 52.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.5 p -47.02 -44.48 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 9.2 p90 -72.17 -20.9 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.1 m -95.71 26.06 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' PRO . 77.4 mt -112.73 147.23 37.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -123.73 104.01 33.87 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' LEU . 54.1 Cg_endo -69.74 179.73 21.43 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.385 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 84' ' ' LEU . 4.4 t -83.37 149.75 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.439 ' CG ' HD13 ' A' ' 84' ' ' LEU . 31.7 mmm -97.9 78.42 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' MET . 34.3 mmtm -35.2 -38.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.1 m -132.98 175.97 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.8 t -106.52 133.69 20.14 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 160.02 51.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.8 m -65.83 -64.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -157.96 152.54 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.4 72.72 1.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -111.71 150.4 30.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -136.29 150.2 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.8 p -96.52 174.33 6.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.472 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.33 -36.34 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.41 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 75.5 m-20 -66.61 -21.07 66.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' A' ' 103' ' ' ILE . 2.2 m -94.74 -56.32 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.469 ' CG ' ' HA ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -45.63 -21.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 11.5 mm -38.55 113.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 36.2 m -72.48 168.25 18.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.63 92.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -133.78 129.3 36.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.09 169.79 12.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 88.13 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.7 m -65.34 111.59 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.1 p -109.84 175.3 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.473 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -114.46 152.25 31.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.383 . . . . 0.0 110.873 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.1 p -58.54 154.68 13.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.38 54.56 3.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -106.61 -52.06 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 53.01 46.23 27.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.26 140.35 5.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . -108.49 102.32 11.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.341 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -103.04 172.28 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.488 ' SG ' ' CG2' ' A' ' 12' ' ' VAL . 1.8 t -49.97 137.06 17.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -89.48 5.66 44.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -120.6 -41.15 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.129 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.69 -19.12 13.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.427 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 21.0 m-20 61.37 42.85 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.55 143.97 50.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.849 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.1 Cg_endo -69.84 -48.5 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.6 -133.13 0.64 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.86 127.01 38.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' N ' HD21 ' A' ' 19' ' ' LEU . 4.4 mm? -76.84 -40.34 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.46 -33.13 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.86 -51.09 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 4.6 pt20 -75.12 136.25 41.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.51 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 66.7 m-85 -73.89 158.19 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 24' ' ' PHE . 8.0 t80 -120.9 98.39 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.4 t -46.28 154.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -101.92 -28.69 12.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.3 m -73.98 -65.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.75 -39.73 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.79 41.46 5.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -102.55 170.44 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HB1' ' A' ' 8' ' ' ALA . 63.1 m170 -116.64 139.65 50.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.571 ' CE2' ' HB1' ' A' ' 11' ' ' ALA . 78.5 m-85 -145.66 127.94 15.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.468 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 28.6 m170 -70.15 157.2 38.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.17 -20.26 76.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.8 -47.36 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . 73.2 m -56.22 -17.97 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -116.67 -3.02 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 62.56 34.69 14.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -100.71 141.07 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.39 101.99 14.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -44.96 103.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.5 p -123.06 153.83 64.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 2.54 3.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' HG22 ' A' ' 74' ' ' THR . 12.7 tp -104.95 -38.92 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' ARG . 28.7 mttt -72.86 -49.54 29.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.0 mtt180 -33.99 -42.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.81 107.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.86 56.12 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.554 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 64.1 t90 -57.99 142.75 45.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.719 0.295 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -110.27 130.88 55.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.554 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.8 p -76.49 158.11 81.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.601 0.715 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.3 Cg_endo -69.75 -9.65 26.64 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -91.29 -17.79 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.1 m -117.04 -17.33 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 139.68 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 m -152.8 164.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.529 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.3 t -56.86 152.93 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -109.31 -16.2 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -81.86 -45.64 15.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.6 p -108.23 -26.35 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt 65.84 53.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -152.39 106.65 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -82.56 131.39 35.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.79 -47.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -96.78 87.66 4.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 67' ' ' SER . 2.7 p-10 -65.5 -50.72 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 66' ' ' ASP . 3.8 t -49.29 -62.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.47 -37.35 75.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.1 ttm -55.92 130.01 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.86 121.13 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.8 t -97.18 108.81 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.1 t -51.11 163.9 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.02 -18.08 13.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.466 HG22 ' CD2' ' A' ' 44' ' ' LEU . 69.0 m -94.66 -63.48 1.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 20.2 p -85.38 -22.34 28.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t70 66.53 46.32 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 16.5 mmtt -96.44 -174.67 3.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.24 124.3 4.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 21.7 m-85 -146.92 118.1 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 25.8 m80 -65.32 145.83 55.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.7 p -49.11 -51.69 30.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -67.2 -20.11 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 34.0 m -90.38 22.62 3.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 86' ' ' PRO . 78.8 mt -111.74 146.21 37.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 4.1 tp-100 -125.52 102.56 29.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.9 Cg_endo -69.8 178.44 25.55 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.332 0.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.9 t -83.84 150.69 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.0 mmm -95.7 144.91 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -42.43 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.4 p -136.29 178.01 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.6 t -103.72 114.72 64.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.741 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 139.7 40.57 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.258 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.0 p -101.64 20.12 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -117.21 48.94 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.91 99.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -76.2 158.43 31.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -140.51 123.19 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.91 144.63 30.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 100' ' ' ASN . 1.1 tmtp? -38.66 -63.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 99' ' ' LYS . 9.1 t-20 -36.17 -36.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 33.2 m -85.42 -49.62 7.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 103' ' ' ILE . 37.9 mtt180 -42.78 -34.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 104' ' ' CYS . 28.6 mm -33.68 135.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.467 ' N ' HG21 ' A' ' 103' ' ' ILE . 6.9 t -40.49 118.7 0.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.3 tp -49.06 139.28 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.8 m 60.04 44.05 13.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -85.76 147.17 21.83 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 93.0 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.264 . . . . 0.0 112.352 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.8 m -79.82 127.9 32.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.6 p -97.39 -57.54 2.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.457 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -112.54 118.13 34.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -93.82 175.46 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.64 165.85 35.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t 43.94 43.49 5.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -48.03 142.06 5.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.9 -150.47 25.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.417 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.537 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . . . -103.54 92.6 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -104.32 158.12 16.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 14' ' ' ASP . 42.2 t -57.8 123.62 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.58 5.61 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -115.09 -38.3 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.63 -19.01 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.0 t70 61.25 53.59 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.2 m -129.9 123.13 20.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.699 0.761 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.73 -8.69 24.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -31.66 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.56 108.96 17.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.7 mt -95.67 -44.92 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.06 -44.84 29.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -48.62 -41.4 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -72.68 160.81 31.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.458 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 5.9 m-85 -96.86 173.62 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -134.97 112.68 10.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.9 t -61.15 154.05 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -102.53 -22.07 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.4 m -81.75 -64.22 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.86 -42.87 12.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.84 36.94 5.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 27.4 mm100 -97.53 176.05 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 1.2 m-70 -132.31 153.48 50.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 53.1 m-85 -157.45 140.93 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -76.3 145.64 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -63.84 -18.39 61.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.459 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.14 -45.5 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.0 m -55.47 -32.03 62.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD12 ' CG ' ' A' ' 32' ' ' TYR . 14.1 mt -101.82 -4.6 26.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 66.14 37.69 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' GLY . 38.5 mt -100.92 136.01 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.23 103.87 15.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -49.44 109.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.2 p -126.84 154.1 76.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 4.61 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tt -102.53 -48.45 4.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' ARG . 47.7 mttt -65.8 -55.29 17.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 74.8 mtp180 -34.76 -50.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.63 105.27 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.47 52.58 12.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.458 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 55.5 t90 -79.81 162.04 25.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.694 0.283 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -149.78 120.27 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.2 p -56.0 156.77 9.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.46 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.7 Cg_endo -69.77 -11.8 31.56 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.85 -13.67 41.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 99.0 m -122.77 -20.54 5.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CD ' ' HA ' ' A' ' 52' ' ' PRO . 15.9 ptmt -58.64 151.32 21.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.7 m -156.99 168.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.488 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 46.2 t -66.91 113.18 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -69.17 -19.55 64.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.406 ' OD1' ' SG ' ' A' ' 57' ' ' CYS . 5.3 m120 -69.16 -60.07 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.6 p -99.25 2.28 45.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' CYS . 43.2 mmtm 54.09 36.34 24.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -141.66 156.66 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.82 -175.61 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.31 -79.24 0.37 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -61.39 89.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -72.93 -58.28 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 p -45.48 -47.49 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -71.45 -39.28 71.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.5 ttm -55.35 117.38 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.552 HD13 ' CZ2' ' A' ' 96' ' ' TRP . 9.5 mt -91.09 118.18 30.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.94 110.05 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.4 t -55.94 163.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.4 -16.35 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.7 m -96.41 -62.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.1 p -82.98 -24.81 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.9 t70 63.53 52.12 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -113.86 149.95 34.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -91.41 127.22 8.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -142.98 116.22 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 23.9 m170 -66.75 134.37 52.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.9 p -44.07 -51.21 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.458 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 24.9 p90 -66.27 -21.73 66.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.458 ' SG ' ' CE1' ' A' ' 82' ' ' PHE . 95.5 m -92.23 20.52 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.435 HD11 ' CG ' ' A' ' 88' ' ' MET . 20.1 mt -108.66 146.49 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -126.35 102.96 26.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.67 28.06 Favored 'Cis proline' 0 C--N 1.342 0.235 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.365 -0.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 t -84.43 149.76 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.435 ' CG ' HD11 ' A' ' 84' ' ' LEU . 35.7 mmm -90.55 120.6 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -67.58 -36.41 80.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.8 m -156.85 173.88 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.0 t -94.45 128.71 39.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 94' ' ' ASN . 54.0 Cg_endo -69.78 2.35 3.62 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 92' ' ' PRO . 8.4 m 30.26 36.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 92' ' ' PRO . 63.8 t30 -173.32 105.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 46.38 97.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.552 ' CZ2' HD13 ' A' ' 70' ' ' LEU . 81.2 t90 -110.59 115.52 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -103.47 131.43 50.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -83.49 169.33 15.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 101' ' ' CYS . 29.0 ttpt -64.37 -64.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -38.45 -26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 99' ' ' LYS . 28.7 m -95.31 -37.21 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -48.92 -33.39 10.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp -41.94 127.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.32 85.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 106' ' ' SER . 1.7 tp -112.89 138.38 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.458 ' N ' HG13 ' A' ' 105' ' ' ILE . 48.4 t -168.78 151.64 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -141.0 -139.73 3.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -16.72 37.66 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.7 m -104.12 94.65 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m -105.62 105.3 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.483 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -44.4 -60.49 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -105.68 -51.94 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.73 76.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -97.0 167.08 11.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.913 0.387 . . . . 0.0 110.823 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -142.17 125.55 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.51 166.27 26.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.65 97.91 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -105.29 166.74 10.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' ASP . 13.2 t -50.51 122.16 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.516 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -73.93 4.22 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 t -115.52 -32.2 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 14' ' ' ASP . 10.4 p -130.57 18.69 5.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 13' ' ' CYS . 43.8 m-20 32.24 44.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.28 144.1 51.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.7 0.762 . . . . 0.0 110.843 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' GLY . 54.1 Cg_endo -69.78 -38.11 8.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.634 2.222 . . . . 0.0 112.376 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 36.9 -123.85 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -96.06 138.38 33.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 19' ' ' LEU . 4.4 mm? -95.11 -20.94 18.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 mt -91.35 -34.73 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.63 -44.8 73.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -70.52 158.87 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.571 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 30.2 m-85 -101.19 152.41 20.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -111.65 117.22 32.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.4 t -69.18 150.97 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -97.23 -24.74 15.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.3 m -79.11 -70.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.161 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.24 -45.48 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.84 50.43 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -109.73 165.53 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -112.81 134.98 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.516 ' CE2' ' HB1' ' A' ' 11' ' ' ALA . 86.0 m-85 -136.28 124.05 22.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -64.88 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.02 -19.01 60.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.9 mmm -93.31 -51.87 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.2 m -49.59 -28.23 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.1 mt -98.83 -22.53 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 72.82 40.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.1 mt -104.71 143.01 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.55 106.45 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.2 t -58.67 101.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.5 p -116.6 153.6 49.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.608 0.718 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 3.09 2.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -97.39 -37.6 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 28.5 mttt -76.9 -51.26 11.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' LYS . 14.5 mtp-105 -36.61 -38.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.54 88.28 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.99 47.4 2.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.571 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 75.4 t90 -85.44 150.88 24.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -133.18 128.55 36.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.22 156.7 87.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.86 33.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -89.69 -7.4 54.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' C ' ' A' ' 55' ' ' LYS . 73.2 m -125.82 -53.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 54' ' ' CYS . 12.3 pttm -29.96 143.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.1 m -146.7 176.17 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.2 t -63.91 154.08 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 98.5 mm-40 -106.82 -19.83 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -84.18 -48.1 10.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.3 p -104.71 -30.99 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt 65.32 47.5 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -132.46 109.02 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.9 p -76.63 118.72 19.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.1 -62.53 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -81.14 98.2 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.93 -52.58 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.3 p -53.62 -46.18 70.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -87.79 46.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.6 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 1.4 tpp -133.19 99.84 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD11 ' CG2' ' A' ' 81' ' ' THR . 23.2 mt -68.42 98.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.6 t -77.45 103.42 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 6.2 t -48.21 159.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -99.78 -41.34 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.5 m -68.05 -69.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 18.2 p -77.01 -36.83 56.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 60.28 54.59 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -97.23 -71.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' ' CD1' ' A' ' 79' ' ' TYR . . . 140.06 121.05 1.8 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 14.8 m-85 -146.79 129.05 15.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.935 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.6 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 34.6 m80 -74.64 137.25 42.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.452 ' CG2' HD11 ' A' ' 70' ' ' LEU . 23.2 p -53.89 -40.73 66.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' HA ' ' CG2' ' A' ' 87' ' ' VAL . 45.8 p90 -80.07 6.48 11.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -110.37 -1.38 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' PRO . 43.2 mt -91.97 155.07 18.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -126.46 103.8 25.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.9 Cg_endo -69.78 -177.69 15.13 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.368 -0.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -97.18 144.22 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.8 mmt -80.49 90.8 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -38.95 -39.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.8 m -132.69 174.32 10.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.2 t -104.2 127.77 28.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.668 0.747 . . . . 0.0 111.092 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -174.62 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.3 m -93.61 -53.78 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -169.14 146.14 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.39 52.3 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -111.57 151.44 28.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HE3' ' C ' ' A' ' 101' ' ' CYS . 14.7 tttp -143.57 125.32 15.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.4 p -72.12 155.65 40.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 101' ' ' CYS . 1.0 OUTLIER -48.99 -58.07 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -45.73 -21.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.44 ' C ' ' HE3' ' A' ' 97' ' ' LYS . 2.7 m -95.85 -43.89 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -53.6 -21.29 6.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.401 HG21 ' N ' ' A' ' 104' ' ' CYS . 43.1 mm -42.0 136.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.401 ' N ' HG21 ' A' ' 103' ' ' ILE . 10.2 t -120.74 -23.21 6.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.3 tt -103.69 81.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.3 t -134.39 49.17 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.31 143.59 15.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.535 ' O ' ' C ' ' A' ' 109' ' ' SER . 54.1 Cg_endo -69.72 6.35 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 108' ' ' PRO . 57.6 p -27.18 117.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.1 t -114.55 176.69 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.515 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.5 p 39.93 41.72 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.356 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -68.86 -50.54 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.94 103.39 1.05 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -75.97 154.2 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -51.61 133.5 30.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.74 -121.23 4.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.522 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . -74.36 99.84 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -105.96 169.53 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.7 t -51.49 141.28 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.488 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -91.92 4.43 52.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -111.78 -54.95 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.2 p -96.02 -29.31 14.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 74.32 47.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 m -137.05 145.77 51.82 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.686 0.755 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.76 -44.76 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.09 -111.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -111.95 143.96 42.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.96 -49.95 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.8 mt -66.45 -37.55 85.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.78 -47.65 67.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.416 ' CD ' ' HB3' ' A' ' 31' ' ' HIS . 24.0 pt20 -87.24 155.92 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.462 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 37.8 m-85 -81.53 171.42 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' A' ' 25' ' ' CYS . 17.1 t80 -135.8 118.95 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.485 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 49.7 t -68.96 153.17 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.2 p -101.83 -25.95 13.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.9 m -76.9 -64.52 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 21.3 p -88.74 -46.07 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 99.86 35.88 4.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.407 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -93.95 167.52 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.93 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.522 ' CE1' ' HB1' ' A' ' 8' ' ' ALA . 12.1 m170 -122.43 152.39 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 74.1 m-85 -157.2 123.9 5.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -73.07 146.06 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.21 -18.29 27.53 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.7 mmt -90.76 -43.27 10.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.02 -25.91 67.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.402 HD13 ' CB ' ' A' ' 32' ' ' TYR . 13.5 mt -112.06 -2.84 14.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 58.77 42.14 20.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.5 mt -103.76 142.92 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.37 98.7 10.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.5 115.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.6 p -128.51 151.66 77.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -6.09 17.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -102.93 -49.42 3.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -57.7 -40.44 79.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -44.55 -49.12 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.43 136.79 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.97 50.53 54.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 67.7 t90 -92.26 143.32 26.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -136.95 123.05 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.67 157.05 10.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.651 0.739 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -13.44 34.7 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.251 . . . . 0.0 112.394 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -87.65 -10.97 49.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 55' ' ' LYS . 91.7 m -122.69 -51.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.9 pttm -31.96 147.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 63' ' ' SER . 22.3 m -146.01 166.31 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.54 138.66 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.455 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 50.2 mm-40 -91.43 -16.17 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -80.9 -53.17 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.3 p -101.56 10.33 40.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 42.17 34.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -134.52 174.92 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.501 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 9.1 t -140.86 135.67 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.9 -93.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.8 99.23 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -70.2 -52.28 24.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 t -50.81 -53.27 33.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -65.77 -40.26 91.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.8 ttm -45.63 128.03 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' CD1' HD12 ' A' ' 84' ' ' LEU . 1.9 mt -89.85 130.73 36.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.8 t -108.82 112.19 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.484 ' HB3' ' N ' ' A' ' 76' ' ' ASP . 12.1 t -55.9 161.81 2.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.01 -30.79 10.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -82.36 -58.13 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.452 ' SG ' ' CD ' ' A' ' 77' ' ' LYS . 12.7 p -101.07 -13.35 18.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.484 ' N ' ' HB3' ' A' ' 72' ' ' CYS . 0.7 OUTLIER 40.2 50.53 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' CD ' ' SG ' ' A' ' 75' ' ' CYS . 11.8 mtpp -78.26 -68.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.51 121.6 2.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.455 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 61.0 m-85 -147.08 133.84 20.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.951 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -67.67 168.68 10.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 88' ' ' MET . 0.7 OUTLIER -90.02 -21.94 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -106.62 18.46 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.9 m -116.71 -16.13 10.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 70' ' ' LEU . 10.4 mt -78.14 157.67 29.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -129.09 102.34 19.0 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 173.64 43.87 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.327 0.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 m -87.75 149.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.473 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 76.8 mtp -94.98 78.15 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' MET . 3.9 mptp? -33.62 -48.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.0 m -116.73 174.31 6.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 96.4 t -109.77 139.31 21.12 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.681 0.753 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.81 147.61 62.92 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.689 2.26 . . . . 0.0 112.317 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 m -40.66 -63.28 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -168.56 143.68 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.93 68.2 1.06 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -109.11 134.29 51.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -114.78 125.4 53.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.3 p -69.86 163.62 25.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -64.86 -41.66 95.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -59.04 -22.09 60.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.3 m -95.26 -43.03 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -61.63 -13.51 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mm -46.37 141.18 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.9 m -95.27 111.93 23.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 106' ' ' SER . 6.0 pt -65.8 176.27 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 105' ' ' ILE . 8.0 t -35.11 116.88 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -113.43 149.54 18.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -4.3 13.78 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 t -61.96 113.13 2.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.9 t -122.84 43.54 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.509 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 t -151.85 131.19 12.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -94.93 119.47 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.12 -160.83 21.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -94.93 175.12 6.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -148.97 134.21 18.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.06 115.3 4.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.543 ' HB1' ' CD2' ' A' ' 31' ' ' HIS . . . 53.72 42.72 31.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -44.73 144.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' ASP . 12.6 t -57.17 123.99 17.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.37 5.0 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -115.1 -45.59 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 p -113.5 -17.84 12.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' CYS . 36.5 t70 61.52 54.38 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 m -140.18 139.59 21.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.77 -51.73 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 30.68 -110.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.49 117.73 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.77 -47.82 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.7 -39.25 93.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.64 -47.61 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.513 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 14.5 pt20 -81.07 135.56 35.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.525 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 82.9 m-85 -60.73 172.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -135.72 116.49 14.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.9 t -71.27 154.99 41.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -104.01 -33.36 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.6 m -68.37 -63.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -87.9 -43.76 11.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.06 34.59 5.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -100.72 157.12 16.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 11.8 m170 -107.53 156.83 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 56.6 m-85 -157.73 121.43 4.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.513 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 36.5 m80 -63.11 159.02 18.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.26 -19.68 79.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.3 tpt -94.56 -39.58 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.26 -27.91 49.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 mp -110.72 4.82 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.1 t70 58.57 36.94 25.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.1 mt -101.66 146.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.92 98.66 11.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -46.09 119.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.7 p -132.76 154.45 81.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.29 2.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -104.51 -48.11 3.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 46' ' ' ARG . 18.0 mtmt -61.54 -54.71 39.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 45' ' ' LYS . 16.3 mtp-105 -34.14 -40.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.28 123.22 26.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.37 54.61 26.12 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.525 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 64.1 t90 -84.69 142.44 29.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.709 0.29 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -128.25 111.56 13.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.418 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 2.8 p -46.78 156.75 0.51 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 54.1 Cg_endo -69.79 -3.11 11.36 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.679 2.253 . . . . 0.0 112.377 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 4.1 mm-40 -96.42 -21.39 17.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.9 m -110.87 -32.08 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 4.2 ttpm? -59.52 139.22 57.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.6 m -138.8 172.47 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 41.5 t -61.82 118.7 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -78.74 7.42 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -107.33 -39.17 5.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.2 p -122.15 -21.57 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 57' ' ' CYS . 0.1 OUTLIER 62.63 53.1 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -133.71 106.97 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.7 p -80.79 140.55 35.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.89 -58.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -85.34 115.02 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.21 -55.01 3.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.1 t -49.75 -59.63 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -58.39 -43.15 88.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.1 ttm -53.61 107.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.416 ' CD1' HG21 ' A' ' 81' ' ' THR . 10.7 mt -81.94 111.76 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.6 t -90.29 110.53 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.7 t -55.37 130.69 43.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -81.32 18.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.5 m -122.45 -59.14 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.06 -41.79 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 74.16 51.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' C ' ' HD2' ' A' ' 55' ' ' LYS . 40.2 mttt -89.31 -43.96 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.66 118.83 4.43 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.519 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -147.3 122.68 10.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 28.6 m170 -71.97 137.55 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.416 HG21 ' CD1' ' A' ' 70' ' ' LEU . 25.1 p -44.99 -47.54 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 15.6 p90 -70.26 -23.33 62.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 63.1 m -87.57 21.13 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 86' ' ' PRO . 87.4 mt -112.75 137.45 51.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 5.3 tt0 -119.73 105.48 43.22 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.3 Cg_endo -69.83 175.12 38.05 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.303 0.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 t -84.69 149.77 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.469 ' HE2' ' NE1' ' A' ' 96' ' ' TRP . 7.8 mmm -86.71 138.3 31.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -88.91 -40.09 13.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.8 p -134.26 174.91 9.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.86 118.09 61.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.03 22.55 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 78.7 p -110.13 43.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -131.75 -52.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.5 86.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.469 ' NE1' ' HE2' ' A' ' 88' ' ' MET . 52.3 t90 -74.87 147.02 41.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.842 0.353 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -140.26 126.53 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.9 141.48 40.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 100' ' ' ASN . 18.2 tttp -41.73 -61.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 99' ' ' LYS . 14.8 m120 -34.65 -36.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' LYS . 22.4 m -85.94 -47.68 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 103' ' ' ILE . 49.6 mtp180 -46.46 -35.93 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 102' ' ' ARG . 29.1 mm -31.57 127.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 3.2 t -85.93 140.48 30.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.2 tt -82.96 157.92 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.2 t -110.64 -45.66 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.86 146.46 19.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 102.42 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.0 p -85.15 -49.73 8.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.81 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.0 p -95.42 -38.3 10.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.495 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -45.77 157.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.829 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 t -125.48 148.32 48.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.54 70.3 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.444 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -115.16 104.53 11.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.858 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -139.85 117.87 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.52 166.11 35.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . -76.4 97.3 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -104.35 175.93 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.4 t -68.11 130.63 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.76 6.33 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.7 t -111.43 -40.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 p -114.9 -28.27 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 14.0 t70 74.69 48.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.89 142.92 37.89 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.702 0.763 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -51.36 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.96 -116.92 0.62 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -114.0 117.98 32.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -78.62 -45.53 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.47 -40.55 95.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.08 -51.38 69.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -78.28 167.3 21.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.578 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 58.8 m-85 -79.79 162.01 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -136.43 111.09 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t -61.45 156.0 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 p -103.17 -34.97 8.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.177 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.2 m -68.02 -67.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 p -82.43 -34.59 28.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.62 35.95 12.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.555 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 16.4 mm100 -96.28 167.43 11.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' ' HB1' ' A' ' 8' ' ' ALA . 27.1 m170 -125.77 145.26 50.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 30' ' ' GLN . 9.0 m-85 -152.07 121.52 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -64.99 162.24 17.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' ASP . . . -73.25 -32.35 60.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ptm -77.85 -27.22 49.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.8 -24.17 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 5.6 mp -122.64 -8.84 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 34' ' ' GLY . 32.4 t0 70.86 41.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -102.49 141.2 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.57 116.54 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.8 t -57.83 91.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.44 149.28 35.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 5.2 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.234 . . . . 0.0 112.396 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tt -102.97 -55.9 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 31.9 mttt -56.57 -53.32 58.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -38.8 -47.44 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.44 92.39 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.31 50.57 4.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 37.7 t90 -76.83 166.23 23.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 6.7 mt-30 -153.55 112.67 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 53' ' ' GLU . 1.9 p -50.8 155.58 1.93 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.626 0.727 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.38 16.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.286 . . . . 0.0 112.31 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.1 mt-10 -95.73 -17.1 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.2 m -115.84 -23.97 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -65.0 141.48 58.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.4 m -143.15 175.31 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 43.5 t -64.1 153.17 38.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -107.67 -20.68 13.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -78.08 -51.13 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.8 p -102.4 -30.27 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt 67.12 47.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -137.57 104.33 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.2 p -74.35 142.18 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.46 -65.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -75.78 55.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.53 -47.37 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.9 m -48.5 -51.05 29.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -85.78 38.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.8 ttt -122.42 106.75 11.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.9 mt -75.57 102.26 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.5 t -83.66 107.17 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.2 t -49.21 162.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.434 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 2.3 m-20 -105.36 -34.28 7.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.0 m -77.3 -72.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 13.5 p -80.59 -26.12 38.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t70 67.04 54.52 0.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 35.7 mttm -106.57 119.13 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.0 129.04 40.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.428 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 56.4 m-85 -146.92 114.34 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 33.9 m170 -62.41 137.93 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.8 p -50.49 -37.19 37.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 7.0 p90 -78.01 -27.83 49.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.4 m -84.76 19.26 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 44.8 mt -101.39 150.14 23.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 32.4 tp60 -128.91 101.79 19.75 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.638 0.733 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.83 179.56 22.11 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.354 0.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 88' ' ' MET . 3.0 t -85.76 146.46 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.479 ' N ' HG13 ' A' ' 87' ' ' VAL . 15.7 mmm -93.37 131.15 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -77.02 -40.86 45.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.2 p -138.71 170.33 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -96.43 114.69 64.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 151.84 68.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.1 p -120.96 39.35 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -133.89 31.53 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.96 111.01 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -97.42 154.92 17.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.06 117.4 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.4 p -69.44 169.54 12.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 101' ' ' CYS . 10.4 tmtt? -61.15 -65.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' LYS . 2.0 t30 -38.53 -25.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 99' ' ' LYS . 18.5 m -94.88 -39.31 10.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' LYS . 14.6 ptt85 -45.34 -37.83 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.9 mp -35.36 119.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.63 147.57 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.6 tt -55.28 133.13 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.6 m 54.5 45.19 27.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.01 151.4 28.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -37.99 8.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.7 t -99.46 84.84 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.7 t -130.97 163.89 26.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.496 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 t -51.65 141.51 16.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.381 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -172.94 131.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.06 114.69 4.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -120.64 -60.93 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.905 0.383 . . . . 0.0 110.881 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -71.08 -63.21 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.48 -87.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HB3' ' NE2' ' A' ' 31' ' ' HIS . . . -80.54 95.81 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -135.96 174.16 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.6 t -64.54 143.43 57.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.35 4.52 53.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -113.36 -45.61 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 p -105.67 -28.57 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.8 t0 72.86 46.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -138.53 148.14 57.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.77 -46.69 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.9 -123.22 0.71 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -103.78 138.69 40.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 HD12 ' NE2' ' A' ' 22' ' ' GLN . 4.4 mm? -93.42 -32.27 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -71.89 -55.16 8.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -48.77 -45.31 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.467 ' NE2' HD12 ' A' ' 19' ' ' LEU . 13.9 pt20 -72.47 167.54 20.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 37.5 m-85 -106.33 160.44 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.402 ' CD2' ' O ' ' A' ' 24' ' ' PHE . 9.1 t80 -124.99 108.46 11.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -56.38 154.47 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -100.91 -32.11 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.7 m -70.97 -65.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -86.8 -44.86 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.64 40.39 4.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.47 177.41 5.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' HD1' ' NE2' ' A' ' 22' ' ' GLN . 4.0 m-70 -122.78 142.13 51.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.462 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . 99.4 m-85 -153.81 125.34 7.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -70.75 157.81 37.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.97 -32.3 80.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ASP . 9.9 ttm -79.76 -53.11 7.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 m -40.59 -41.68 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 9.5 mp -94.56 -17.32 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' MET . 1.7 m-20 70.28 43.73 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.6 mt -107.3 148.11 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.37 110.35 19.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.038 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.26 115.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.3 p -131.25 155.95 80.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.23 2.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tt -102.68 -49.28 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -62.39 -48.72 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -40.6 -42.54 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.1 100.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.43 46.2 52.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.557 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 67.1 t90 -45.45 155.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.687 0.279 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -125.22 125.66 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.557 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 3.4 p -71.9 157.7 89.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.652 0.739 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.76 -5.86 17.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 10.5 mm-40 -96.08 -18.26 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 68.7 m -113.1 -30.05 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -57.91 146.96 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.45 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 13.4 m -157.97 167.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.407 ' N ' ' HE3' ' A' ' 69' ' ' MET . 17.2 t -56.39 152.86 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -108.01 -18.62 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -83.55 -46.07 12.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.4 p -107.5 -30.81 8.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm 67.34 50.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -135.44 111.69 9.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.6 p -81.45 127.74 33.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.91 -55.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 21.4 mp0 -94.86 87.17 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.02 -53.47 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -48.64 -58.69 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -59.74 -41.79 91.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.42 ' HE3' ' C ' ' A' ' 56' ' ' VAL . 10.7 ttm -48.2 124.2 7.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.4 mt -87.59 111.72 21.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.403 ' CG1' ' OD1' ' A' ' 76' ' ' ASP . 89.5 t -86.65 100.38 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.5 t -48.06 125.94 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.73 25.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.8 m -129.43 -49.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 24.1 p -113.59 -28.01 7.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.403 ' OD1' ' CG1' ' A' ' 71' ' ' VAL . 36.4 t70 63.42 53.66 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -88.18 -59.71 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.97 113.27 2.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -146.58 120.68 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.941 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -60.8 177.73 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.0 p -89.88 -25.82 20.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.478 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 3.9 p90 -107.79 23.45 14.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 28.8 m -120.48 -17.04 8.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' PRO . 27.2 mt -77.1 160.33 29.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -130.16 101.11 18.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.7 Cg_endo -69.79 -178.2 16.26 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.351 -0.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.478 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -91.81 158.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.559 ' HE2' ' CD1' ' A' ' 96' ' ' TRP . 19.0 mmm -102.49 79.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 88' ' ' MET . 40.1 mmtm -32.94 -40.48 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.7 m -138.45 179.46 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.0 t -112.75 121.34 38.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.636 0.731 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 94' ' ' ASN . 53.5 Cg_endo -69.79 -2.51 10.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 92' ' ' PRO . 75.4 p 33.48 35.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 92' ' ' PRO . 4.5 m120 -127.31 45.63 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.39 69.79 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.463 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 88' ' ' MET . 67.6 t90 -70.18 150.78 46.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -129.17 128.9 44.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.2 p -72.22 143.89 48.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.441 ' CE ' HD12 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -40.83 -61.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' LYS . 3.0 t-20 -36.47 -38.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.4 m -81.4 -49.41 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 103' ' ' ILE . 9.4 mtp-105 -46.17 -34.67 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' A' ' 102' ' ' ARG . 38.1 mm -32.31 121.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.0 t -93.59 159.67 15.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.9 mm -98.58 104.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t -102.85 82.67 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -114.13 -172.59 17.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.3 m -109.52 124.49 51.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.0 p -46.12 170.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.067 -0.852 . . . . 0.0 112.503 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -150.85 119.69 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -75.88 177.87 6.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.83 61.33 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.4 p -124.67 154.41 40.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p -102.49 -51.2 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.45 147.26 21.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.564 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . -91.74 93.95 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -92.84 167.18 12.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 35.9 t -59.4 122.04 12.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -74.35 5.0 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.35 -40.2 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 p -120.05 -21.5 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' CYS . 41.0 t0 62.54 49.82 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.7 m -128.73 117.19 19.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.8 -7.3 20.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -27.98 -90.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.536 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -91.28 126.46 36.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.48 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.6 mm? -94.55 -42.58 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ASP . 7.6 mp -65.01 -53.87 39.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LEU . 1.5 m-20 -37.73 -52.2 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.569 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 2.3 pt20 -76.94 133.4 39.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.548 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 10.1 m-85 -68.12 178.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -133.01 124.09 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.9 t -84.31 154.96 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.5 p -104.35 -32.02 9.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.0 m -69.75 -67.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.5 p -84.52 -43.14 14.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.52 35.87 6.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -102.81 165.24 11.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HB1' ' A' ' 8' ' ' ALA . 25.5 m170 -116.82 149.79 39.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 11' ' ' ALA . 86.3 m-85 -151.46 121.18 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 28.6 m170 -64.07 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.14 -23.81 62.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.5 ttp -87.95 -46.05 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.9 m -52.9 -31.02 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -100.88 1.11 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 61.53 31.41 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.8 mt -107.68 137.0 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.6 102.27 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 p -61.79 107.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 23.7 p -105.72 158.17 32.95 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 111.177 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 53.8 Cg_endo -69.69 -4.21 13.52 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 HD23 ' CG2' ' A' ' 74' ' ' THR . 19.2 tp -105.63 -20.21 13.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.693 ' HZ3' ' N ' ' A' ' 74' ' ' THR . 1.1 ttmm -79.21 -53.0 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LYS . 80.1 mtp180 -35.22 -52.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.72 123.87 16.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.37 60.48 4.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.548 ' CE3' ' HB2' ' A' ' 23' ' ' PHE . 70.0 t90 -91.01 141.6 28.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.713 0.292 . . . . 0.0 110.908 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -125.7 109.36 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.6 p -43.85 156.59 0.3 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -10.96 29.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.58 -14.71 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 55' ' ' LYS . 66.6 m -115.64 -53.49 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 54' ' ' CYS . 13.5 pttp -31.9 138.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.436 ' C ' ' HE1' ' A' ' 69' ' ' MET . 5.1 m -141.21 178.84 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.3 t -69.55 153.13 43.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -110.05 -15.11 14.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -84.75 -41.88 15.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.2 p -113.46 -27.76 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 67.51 54.83 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 1.3 pt20 -140.41 123.98 17.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.3 p -95.31 114.21 25.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.42 -57.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 77.8 mm-40 -80.0 47.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.98 -61.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.9 m -40.59 -56.05 2.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -62.03 -34.47 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.436 ' HE1' ' C ' ' A' ' 56' ' ' VAL . 23.7 ttm -64.86 126.03 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.489 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 4.5 mp -83.16 144.61 29.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.3 t -111.5 101.93 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 42.0 t -52.79 129.82 31.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.56 24.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.693 ' N ' ' HZ3' ' A' ' 45' ' ' LYS . 27.2 m -130.58 -43.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.07 -38.31 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t70 73.32 54.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -86.4 -68.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.28 116.39 2.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -146.4 122.11 10.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 65' ' ' GLU . 38.1 m80 -59.25 137.69 57.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.7 p -45.04 -47.34 11.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 12.1 p90 -70.66 -23.83 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 39.9 m -83.46 21.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -117.65 142.51 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.453 ' CD ' ' O ' ' A' ' 85' ' ' GLN . 2.5 pp0? -124.23 106.56 30.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 171.03 55.79 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.351 0.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 88' ' ' MET . 3.2 t -81.83 153.37 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.446 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 94.7 mtp -101.68 100.63 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -47.33 -43.21 22.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.3 p -132.34 177.75 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.3 t -108.63 136.15 19.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.445 ' HD3' ' CE ' ' A' ' 88' ' ' MET . 54.0 Cg_endo -69.74 171.34 14.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.723 2.282 . . . . 0.0 112.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.1 t -122.88 -17.4 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -97.21 51.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.11 135.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.489 ' CE3' ' HB3' ' A' ' 70' ' ' LEU . 50.4 t90 -108.4 145.03 35.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -126.69 124.54 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.7 167.55 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 102' ' ' ARG . 26.7 tttt -67.57 -59.18 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -40.88 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 99' ' ' LYS . 7.3 m -95.72 -31.15 13.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 99' ' ' LYS . 6.5 ptm180 -51.22 -33.96 30.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -43.61 129.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.0 p -74.04 165.57 24.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.2 tt -133.5 145.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -48.45 101.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -155.71 147.62 16.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -176.39 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.3 t -110.89 -45.13 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.8 m -108.47 -60.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.499 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -126.26 83.07 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -104.49 121.75 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.04 -66.87 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -99.44 125.26 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -43.41 153.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.9 78.23 1.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.08 27.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 111.064 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -95.59 162.88 13.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.9 t -56.83 120.13 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.548 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -72.29 6.36 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' H ' ' C ' ' A' ' 10' ' ' CYS . 58.0 t -113.48 -53.15 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 19.0 p -102.35 -5.08 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 13' ' ' CYS . 3.5 p30 49.7 41.57 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -138.41 142.32 34.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.651 0.739 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.75 -51.6 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 32.99 -130.81 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -82.87 117.15 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.28 -29.42 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.65 -28.94 9.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -110.03 35.79 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.461 ' CG ' ' CD2' ' A' ' 33' ' ' HIS . 20.6 mt-30 -113.76 123.56 50.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.578 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 72.7 m-85 -71.33 162.83 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -136.57 115.75 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.8 t -71.35 153.79 42.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.8 p -98.18 -27.24 14.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.8 m -77.18 -65.34 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 p -87.03 -45.14 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.47 40.67 4.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -95.7 175.2 6.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.616 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 6.5 m-70 -126.32 149.93 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 4.4 m-85 -154.4 148.97 26.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CD2' ' CG ' ' A' ' 22' ' ' GLN . 34.1 m80 -89.54 155.37 19.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.8 -29.01 74.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.9 ttm -86.28 -44.04 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.0 m -52.14 -35.08 47.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD11 ' CD2' ' A' ' 32' ' ' TYR . 38.2 mt -110.45 1.09 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 54.69 44.41 28.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 40' ' ' ALA . 69.6 mt -102.21 141.3 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' N ' HG21 ' A' ' 39' ' ' ILE . . . -77.78 101.83 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.73 122.54 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.8 147.87 50.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.149 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.53 3.43 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.8 tp -103.14 -32.65 9.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 46' ' ' ARG . 27.5 ttmt -83.34 -49.69 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 45' ' ' LYS . 15.5 mtp-105 -33.0 -37.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . -74.46 122.69 23.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.06 60.58 3.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.589 ' CZ2' ' HA ' ' A' ' 51' ' ' CYS . 49.2 t90 -78.94 147.98 32.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -118.66 112.6 20.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.589 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 2.4 p -63.37 156.85 67.92 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.7 Cg_endo -69.79 -1.87 9.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -98.1 -17.98 18.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.8 m -118.41 -28.11 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -53.85 150.02 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 55' ' ' LYS . 27.5 m -160.93 162.63 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 59' ' ' ASN . 41.8 t -67.13 115.55 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.16 -17.97 60.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 57' ' ' CYS . 6.6 m120 -67.76 -54.1 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.1 p -102.89 -12.02 17.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 65.36 48.43 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -141.08 136.14 31.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.45 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 81.7 p -83.21 6.72 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.08 -176.27 34.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 42.68 53.6 4.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.43 -49.11 72.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -48.45 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' MET . 60.4 mttm -58.29 -41.0 83.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.1 ttt -33.03 132.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.475 HD12 ' CG2' ' A' ' 81' ' ' THR . 12.9 mt -104.02 107.46 18.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.1 t -82.89 114.14 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.51 127.0 29.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.23 26.41 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.4 m -132.01 -47.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.1 p -115.28 -32.98 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 65.04 54.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -88.88 -52.79 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.88 111.84 2.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.538 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -146.44 122.41 10.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.882 0.373 . . . . 0.0 110.93 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 46.8 m170 -66.02 167.93 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.475 ' CG2' HD12 ' A' ' 70' ' ' LEU . 24.4 p -80.76 -32.85 35.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.161 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -99.23 24.7 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 80' ' ' HIS . 52.8 m -124.89 -22.02 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.0 mt -69.64 164.99 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -137.2 101.64 9.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 174.61 39.79 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.316 0.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.09 160.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.471 ' HE1' ' NE1' ' A' ' 96' ' ' TRP . 6.9 mmm -105.99 77.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -35.02 -38.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 p -123.32 173.93 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 99.4 t -109.14 139.16 20.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.76 176.76 6.34 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.4 m -127.11 -55.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -53.48 -54.4 37.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.16 140.62 3.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.471 ' NE1' ' HE1' ' A' ' 88' ' ' MET . 40.5 t90 -111.68 158.5 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -153.98 131.45 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.5 p -69.09 168.91 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -73.57 -48.98 28.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -48.56 -23.06 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 10.0 m -95.85 -46.78 6.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 103' ' ' ILE . 1.4 ptm180 -47.46 -29.9 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.442 HG21 ' N ' ' A' ' 104' ' ' CYS . 41.2 mm -35.56 136.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.442 ' N ' HG21 ' A' ' 103' ' ' ILE . 66.0 m 60.16 45.25 11.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 106' ' ' SER . 7.1 tp -42.03 -42.6 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.444 ' N ' HG21 ' A' ' 105' ' ' ILE . 1.8 t -148.22 115.29 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.85 157.96 1.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 150.14 67.82 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.5 m -112.41 159.77 18.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.8 t -117.92 94.28 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.428 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -65.81 147.58 53.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -70.95 137.23 49.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.17 159.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 t -124.5 85.31 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.92 155.52 8.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.55 -148.74 5.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.55 26.68 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -99.43 176.73 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 6.5 t -69.36 132.36 46.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.551 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -86.91 6.33 32.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -113.29 -43.83 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.3 p -109.29 -27.47 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.435 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 9.3 t70 72.51 47.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.5 m -137.45 140.99 32.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.692 0.758 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLY . 54.1 Cg_endo -69.78 -51.12 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.94 -116.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.88 128.67 55.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.23 -40.31 10.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.23 -40.54 96.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -65.54 -46.1 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -78.76 147.41 33.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.538 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 90.5 m-85 -66.57 159.8 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -136.19 119.8 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.4 t -66.69 156.43 35.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -106.76 -30.82 8.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.5 m -71.39 -63.04 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -86.43 -41.43 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.63 39.11 5.07 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -97.22 176.99 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -133.95 144.3 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 60.0 m-85 -150.46 121.35 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -67.61 141.12 56.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.78 -35.4 17.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -50.34 16.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.9 m -50.21 -33.73 20.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 mt -97.46 -22.15 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 73.33 42.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.0 mt -113.22 139.94 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.76 103.44 6.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.34 128.54 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.33 151.14 63.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.33 4.54 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD21 ' CG2' ' A' ' 74' ' ' THR . 14.0 tp -102.44 -45.35 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.3 ttmp? -69.62 -52.5 25.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LYS . 17.5 mtp-105 -34.56 -45.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.08 101.7 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.57 49.74 5.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 91.4 t90 -83.56 152.61 24.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.698 0.285 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -139.02 134.63 33.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.442 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.8 p -71.16 157.68 89.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.75 -10.06 27.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 11.6 mm-40 -88.24 -21.98 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 88.3 m -110.73 -29.71 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.99 136.47 41.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.98 151.89 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.1 t -57.72 114.76 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -71.68 -19.17 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 83' ' ' CYS . 8.7 m120 -67.12 -56.36 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 28.6 p -108.7 12.96 25.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm 46.95 53.2 10.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 58.0 mm-40 -148.75 149.25 31.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 t -97.03 -10.78 25.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.29 -170.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 40.88 50.06 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -58.62 -57.92 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.4 m -41.29 -59.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -62.81 -40.25 96.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.7 ttt -42.66 132.11 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.7 mt -105.59 111.14 23.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.4 t -88.19 114.36 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.444 ' HB3' ' N ' ' A' ' 76' ' ' ASP . 10.4 t -57.55 164.66 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -103.53 -33.05 9.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.412 ' CG2' HD21 ' A' ' 44' ' ' LEU . 18.5 m -83.24 -65.94 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.8 p -88.18 -16.47 33.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.444 ' N ' ' HB3' ' A' ' 72' ' ' CYS . 5.2 m-20 43.62 54.84 5.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.66 -75.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.62 112.3 2.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -146.6 132.13 18.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 110.943 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 22.8 m170 -70.27 153.61 42.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.0 p -61.27 -57.22 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -64.8 -3.68 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 59' ' ' ASN . 26.0 m -101.53 -7.24 22.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' PRO . 67.6 mt -85.75 145.28 27.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -123.24 102.46 36.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.77 177.26 29.49 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.336 0.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.17 143.31 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.8 mmm -73.52 130.14 39.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -68.28 -32.59 72.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.9 m -146.56 172.5 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.98 129.3 27.54 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 150.43 68.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.236 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.3 t -71.38 -43.2 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -170.55 155.93 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.86 48.98 5.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -101.4 139.82 36.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -132.51 127.86 36.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.25 171.34 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' ARG . 58.5 tttp -63.8 -69.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 99' ' ' LYS . 2.2 t-20 -34.12 -37.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.8 m -75.74 -48.37 22.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 99' ' ' LYS . 5.8 ptt180 -57.29 -29.66 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 102' ' ' ARG . 26.4 mm -35.35 130.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.2 t -76.58 96.77 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.7 mt -95.88 129.39 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.3 t -105.94 164.33 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -88.68 124.49 7.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 158.56 56.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 56.0 m 56.39 42.1 28.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.6 m -73.74 163.03 28.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.473 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -62.26 100.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.912 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.7 p -70.22 104.57 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.87 75.2 1.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -109.08 -56.53 2.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -71.65 125.73 27.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.76 -135.83 3.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.02 101.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.336 . . . . 0.0 111.068 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -138.3 162.29 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 14' ' ' ASP . 33.9 t -50.99 121.68 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.549 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -70.4 0.72 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.07 -40.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 14' ' ' ASP . 14.8 p -121.61 20.36 11.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 13' ' ' CYS . 1.3 p30 32.89 41.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.91 143.99 49.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.653 0.739 . . . . 0.0 110.867 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -44.28 2.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.7 -142.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -73.27 130.22 39.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -90.97 -27.51 18.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.3 mt -85.5 -55.57 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -49.36 -42.31 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.15 171.62 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.561 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 42.6 m-85 -109.74 150.57 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 25' ' ' CYS . 14.8 t80 -122.42 113.72 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.429 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 48.9 t -64.54 154.59 35.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.3 p -100.42 -28.84 12.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.7 m -74.78 -62.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 p -89.26 -45.47 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.13 41.65 5.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -91.73 178.87 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -124.09 131.32 53.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 93.3 m-85 -143.26 122.65 13.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -69.64 166.46 19.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.01 -22.7 62.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.8 mmt -94.82 -39.01 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 m -56.46 -35.94 68.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 mt -100.08 -0.58 38.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 60.93 40.45 15.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 40' ' ' ALA . 80.7 mt -106.45 141.27 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' N ' HG23 ' A' ' 39' ' ' ILE . . . -84.17 106.26 15.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.4 124.96 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.421 ' CG2' ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -140.1 147.16 49.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.537 0.684 . . . . 0.0 111.15 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 1.26 4.61 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.428 ' CD2' HG23 ' A' ' 74' ' ' THR . 9.3 tp -101.48 -33.54 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' CE ' ' HB2' ' A' ' 76' ' ' ASP . 38.0 mttp -82.24 -55.61 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LYS . 61.4 mtp180 -33.78 -55.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.0 107.69 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.12 49.9 49.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 84.6 t90 -82.11 160.73 23.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.666 0.27 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 13.3 mt-30 -138.21 138.23 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.536 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.9 p -78.18 156.32 79.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -3.64 12.43 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.409 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 7.0 mm-40 -96.09 -15.02 22.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.504 ' O ' ' C ' ' A' ' 55' ' ' LYS . 86.9 m -121.01 -45.35 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 54' ' ' CYS . 18.2 ptmt -29.87 143.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.0 m -144.26 175.91 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.1 t -69.34 151.46 46.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -104.68 -13.37 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -88.05 -46.7 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.7 p -103.14 -31.72 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt 67.98 44.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -138.39 112.2 8.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.9 p -73.5 129.21 37.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -177.66 -58.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -96.1 109.21 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.7 -54.63 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.8 m -47.07 -62.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -57.41 -40.59 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.509 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 12.4 ttm -55.43 115.34 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.46 HD12 ' CE2' ' A' ' 96' ' ' TRP . 44.9 mt -71.04 140.28 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.428 HG13 ' NZ ' ' A' ' 55' ' ' LYS . 91.4 t -113.01 100.72 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.62 163.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -107.43 -25.63 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.428 HG23 ' CD2' ' A' ' 44' ' ' LEU . 33.1 m -86.87 -59.32 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 19.2 p -84.79 -27.47 26.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.47 ' HB2' ' CE ' ' A' ' 45' ' ' LYS . 26.5 t70 65.5 53.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -117.61 173.63 6.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.22 134.74 12.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -146.53 113.24 6.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 34.4 m170 -68.0 147.07 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.41 ' C ' HG23 ' A' ' 87' ' ' VAL . 35.4 p -62.7 -53.82 48.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -60.56 -29.97 69.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 80' ' ' HIS . 12.2 m -69.06 -24.36 64.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' PRO . 59.8 mt -75.66 144.02 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 2.6 pt20 -125.62 103.5 28.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.78 -179.14 18.37 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.349 -0.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.41 HG23 ' C ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -97.84 141.93 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.2 mmm -63.44 165.81 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -109.8 -41.53 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.9 m -132.69 177.34 7.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.1 t -107.34 120.45 47.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -173.83 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.629 2.22 . . . . 0.0 112.359 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 94' ' ' ASN . 7.0 t -116.61 103.27 10.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 93' ' ' THR . 68.4 m-80 33.02 43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -149.93 44.41 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CE2' HD12 ' A' ' 70' ' ' LEU . 57.1 t90 -110.89 155.59 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -139.18 119.4 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' CYS . 15.1 p -71.45 146.79 48.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -46.41 -31.93 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.65 -32.47 72.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 98' ' ' CYS . 9.3 m -89.04 -50.29 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 103' ' ' ILE . 19.4 ptt180 -42.99 -30.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 102' ' ' ARG . 23.0 mm -34.81 134.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.6 m -67.96 110.25 3.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.1 mm -85.02 -44.66 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.7 t -45.24 110.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 165.91 -139.31 5.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 87.55 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.8 p -49.94 -28.03 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 75.0 m -78.95 169.05 18.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.486 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -155.74 134.14 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -75.27 115.23 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.09 131.89 3.34 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -155.12 167.56 29.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 t -127.01 147.39 50.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.99 146.07 7.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 67.48 27.44 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -96.03 175.64 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' CG2' ' A' ' 12' ' ' VAL . 1.7 t -58.96 141.04 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.77 5.95 50.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -120.69 -33.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.11 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 p -117.04 -18.14 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 5.1 t70 60.94 44.2 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.93 144.15 52.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.76 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.58 -119.22 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.489 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 17.3 m-20 -105.69 114.25 28.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.83 -42.77 57.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.91 -32.76 74.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 18' ' ' ASP . 85.7 m-20 -70.48 -44.96 66.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 15.4 pt20 -76.99 135.17 38.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.55 ' CZ ' HG22 ' A' ' 39' ' ' ILE . 38.1 m-85 -63.18 161.34 13.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -133.88 103.68 5.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.2 t -58.14 150.81 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.9 p -100.5 -29.24 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -71.23 -64.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -84.41 -39.08 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.97 36.44 6.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -100.72 170.53 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.586 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 3.6 m-70 -130.94 151.56 51.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.586 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 4.1 m-85 -153.55 133.03 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 33.1 m80 -72.58 138.05 46.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.66 -19.14 12.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 36' ' ' CYS . 4.6 ppp? -93.46 -43.4 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . 52.7 m -56.09 -35.02 66.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD11 ' CD2' ' A' ' 32' ' ' TYR . 13.6 mt -105.86 -11.02 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 70.67 37.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.55 HG22 ' CZ ' ' A' ' 23' ' ' PHE . 65.2 mt -100.81 137.5 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.15 119.48 25.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.22 115.87 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -125.78 154.64 73.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.68 29.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 tp -91.25 -51.23 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' ARG . 42.5 mttt -57.68 -60.99 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' LYS . 58.5 mtp85 -35.15 -41.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 73.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 81.73 36.74 18.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 49.5 t90 -40.12 159.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.713 0.292 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -135.35 109.16 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.552 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.9 p -55.24 156.0 8.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.46 14.08 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -95.23 -19.65 19.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.4 m -113.06 -26.56 8.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -53.22 138.21 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.1 m -144.64 175.77 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 52.8 t -69.47 149.95 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -105.58 -21.66 13.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -73.53 -48.82 30.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 p -103.36 -12.14 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 1.9 mmmp? 56.86 54.96 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 61' ' ' LYS . 81.5 mm-40 -154.37 158.6 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 p -112.72 120.07 40.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.18 -117.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -47.94 108.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.22 -50.43 6.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -49.1 -44.17 41.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -96.3 38.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.482 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 1.6 ttt -118.42 105.72 11.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 84' ' ' LEU . 90.8 mt -64.73 130.31 43.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.8 t -113.64 111.03 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.9 t -51.85 161.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.55 -35.25 8.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.1 m -75.46 -71.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.0 p -77.63 -32.13 53.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 70.77 54.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -112.06 139.47 47.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.38 137.23 25.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.506 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -147.19 113.81 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.482 ' CD2' ' HG3' ' A' ' 69' ' ' MET . 36.7 m80 -67.86 149.14 50.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.3 p -65.55 -49.53 68.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -68.78 -1.87 8.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 m -99.95 -14.26 18.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 70' ' ' LEU . 92.4 mt -89.35 141.23 28.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -118.99 107.15 42.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.76 175.86 34.87 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.38 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.18 136.14 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.3 mmm -75.41 143.38 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -87.51 -36.75 17.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 62.3 m -142.38 170.58 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.3 t -95.99 118.62 65.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.46 11.11 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.7 p -91.6 41.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -128.18 -57.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.41 109.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -107.37 140.8 39.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -128.32 128.38 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.6 p -74.5 147.57 41.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' CYS . 29.3 tptt -43.99 -63.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.433 ' C ' HD11 ' A' ' 103' ' ' ILE . 4.5 m-80 -38.16 -26.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' LYS . 9.9 m -94.4 -46.62 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 103' ' ' ILE . 56.4 mtp180 -40.15 -43.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.478 ' C ' ' O ' ' A' ' 102' ' ' ARG . 4.2 mp -31.64 126.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.0 m -79.26 177.75 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.4 mm 61.05 53.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.5 p -143.19 174.56 10.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.47 176.16 24.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -3.01 11.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.721 2.28 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.8 m -63.76 -60.3 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -113.08 137.13 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.452 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 t -127.55 111.13 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -38.17 156.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.84 112.8 2.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 p -119.67 -43.9 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -133.05 115.33 15.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.94 177.48 18.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . -75.31 94.04 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -129.34 178.39 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 18.0 t -63.76 144.17 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -94.07 5.33 52.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -116.29 -49.33 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -101.4 -19.51 15.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 63.99 47.05 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -143.22 149.3 47.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.49 -128.65 5.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' OD2' ' OD2' ' A' ' 21' ' ' ASP . 7.1 t0 -102.85 102.8 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 19' ' ' LEU . 4.3 mm? -66.45 -23.51 66.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.73 -27.85 69.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD2' ' OD2' ' A' ' 18' ' ' ASP . 7.1 m-20 -108.68 31.25 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.525 ' CG ' ' CD2' ' A' ' 33' ' ' HIS . 16.3 mt-30 -118.32 133.27 56.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.571 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 65.5 m-85 -83.22 138.71 33.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -112.91 139.47 48.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.8 t -95.11 149.94 20.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.1 p -97.1 -22.61 16.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 m -80.6 -70.79 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 19.6 p -83.09 -46.58 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.428 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 98.69 44.83 2.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -100.67 172.37 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.597 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 3.4 m-70 -126.11 149.9 48.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 15.2 m-85 -153.84 138.65 17.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CD2' ' CG ' ' A' ' 22' ' ' GLN . 49.9 m80 -83.14 150.6 26.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.77 -26.54 65.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.2 mmt -89.96 -37.89 14.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.333 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.7 m -58.06 -35.07 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD11 ' CD2' ' A' ' 32' ' ' TYR . 15.6 mt -107.81 -9.8 15.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 70.78 38.52 1.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 40' ' ' ALA . 63.8 mt -101.22 138.18 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 39' ' ' ILE . . . -87.06 106.25 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.442 ' CG1' ' NH2' ' A' ' 46' ' ' ARG . 95.1 t -50.81 122.3 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 p -138.91 155.04 73.2 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.575 0.702 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 3.58 2.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.307 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.3 tp -102.49 -51.3 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' ARG . 17.7 mtmt -61.53 -57.81 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 67.2 mtt180 -34.59 -44.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.96 85.19 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.99 37.38 1.85 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 64.8 t90 -88.23 141.22 28.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.73 0.3 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -130.83 108.67 10.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.6 p -41.05 157.15 0.2 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.443 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.5 Cg_endo -69.8 -7.08 20.17 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -96.07 -9.99 29.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.5 m -125.66 -23.76 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' CD ' ' HA ' ' A' ' 52' ' ' PRO . 18.8 ptmt -51.89 152.0 3.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 55' ' ' LYS . 30.4 m -158.53 168.03 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 17.6 t -55.92 152.57 9.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 76.7 mm-40 -104.56 -14.17 15.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -87.19 -56.34 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' A' ' 62' ' ' GLN . 22.6 p -95.29 -25.29 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.37 47.99 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HG2' ' SG ' ' A' ' 60' ' ' CYS . 4.5 pt20 -136.48 126.25 25.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 p -89.15 128.5 35.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.42 120.48 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' SER . 9.2 p-10 -96.98 -61.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' ASP . 56.7 m -37.78 -62.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.0 -40.92 77.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.2 ttm -50.96 116.15 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 mt -84.84 103.92 14.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.411 HG13 ' NZ ' ' A' ' 55' ' ' LYS . 94.9 t -76.55 115.59 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.4 t -65.6 163.8 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -104.56 -38.17 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 m -73.58 -60.03 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.08 -27.2 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.84 42.67 28.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -85.35 -65.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.16 124.67 2.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 36.6 m-85 -146.88 125.38 12.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 30.2 m170 -63.49 170.95 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.3 p -80.97 -28.2 35.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.467 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -103.93 25.83 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.5 m -124.0 -16.97 6.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' PRO . 23.4 mt -78.79 152.02 31.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 17.6 pt20 -123.91 101.64 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.2 Cg_endo -69.77 175.88 34.84 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.294 0.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -85.46 159.99 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 89' ' ' LYS . 7.5 mmm -102.98 70.66 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -35.57 -34.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' MET . 58.2 m -126.05 174.83 8.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.415 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 86.3 t -109.75 137.53 20.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.667 0.746 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.415 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.7 174.08 9.99 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.3 m -86.22 -63.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.47 140.78 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.72 65.83 1.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -107.4 158.05 17.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -148.42 125.18 11.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -72.18 156.58 39.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 102' ' ' ARG . 13.6 tttp -52.84 -61.09 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -40.05 -23.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' LYS . 9.3 m -95.99 -33.26 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.9 ptp180 -54.33 -26.06 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.0 mp -52.21 134.8 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 41.4 t -78.47 -36.32 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.9 mt -37.55 -59.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -110.09 93.27 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 157.04 -136.25 4.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 179.19 3.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.28 . . . . 0.0 112.337 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.1 t -114.54 42.71 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.5 t -109.6 41.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.447 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -164.05 110.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 p -59.98 123.5 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.41 135.09 12.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -67.29 93.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.864 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m -112.86 176.13 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.76 84.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . 60.15 30.16 19.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -70.01 145.23 51.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -50.98 125.93 14.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.586 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -74.2 5.35 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 t -116.33 -37.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 14' ' ' ASP . 14.4 p -124.21 19.26 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 13' ' ' CYS . 29.1 t70 33.01 42.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.95 142.1 44.19 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.684 0.755 . . . . 0.0 110.864 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.54 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.45 -117.71 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -108.38 125.38 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.6 mt -88.07 -49.11 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.12 -25.12 67.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.77 -36.49 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.408 ' CD ' ' HB3' ' A' ' 31' ' ' HIS . 14.1 pt20 -84.61 149.04 26.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.593 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 31.1 m-85 -75.46 157.62 33.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -130.54 105.48 7.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.0 t -51.32 146.74 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.1 p -102.07 -16.59 16.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -83.51 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.4 p -84.29 -39.56 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.27 30.23 7.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 9.0 mm-40 -95.51 159.56 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 2.2 m80 -120.97 134.66 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.586 ' CE2' ' HB1' ' A' ' 11' ' ' ALA . 68.5 m-85 -136.25 129.71 31.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -60.21 162.39 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -82.11 -21.82 60.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ttp -95.34 -44.13 7.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.4 m -52.67 -28.36 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.9 mt -107.05 -6.02 17.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 70.57 33.55 2.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' GLY . 60.3 mt -102.63 136.73 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.22 118.56 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.29 97.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.6 p -115.3 155.38 47.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.93 2.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' CD2' ' C ' ' A' ' 44' ' ' LEU . 3.6 tt -101.84 -50.17 3.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 13.2 mtmt -62.87 -56.12 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 mtp-105 -39.97 -34.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.02 81.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.0 42.8 35.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 85.5 t90 -63.11 134.53 56.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -115.72 123.82 49.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.586 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.1 p -50.63 158.89 0.99 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.4 Cg_endo -69.79 -11.09 30.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.402 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 7.2 mm-40 -89.31 -16.52 30.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 80.6 m -114.16 -24.72 8.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 77' ' ' LYS . 8.5 tttt -68.42 140.03 55.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 11.0 m -157.42 169.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.456 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 45.3 t -55.61 126.07 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -86.28 -2.0 58.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -89.2 -53.52 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.5 p -105.27 2.24 28.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 49.83 54.89 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -147.33 160.16 42.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.42 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 54.5 p -118.44 20.79 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 63' ' ' SER . . . -53.72 -106.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -45.16 114.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.5 -45.52 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.9 t -59.14 -60.46 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -58.21 -38.87 77.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.0 ttm -41.56 103.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.77 105.65 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.415 HG12 ' NZ ' ' A' ' 55' ' ' LYS . 84.1 t -88.99 108.12 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.9 t -58.13 158.76 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -102.97 -40.32 6.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.433 HG22 ' CD1' ' A' ' 44' ' ' LEU . 31.8 m -64.88 -65.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 20.4 p -86.05 -42.1 14.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 72.68 49.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 25.2 mmmt -87.04 -71.3 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 124.26 115.18 2.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -146.7 132.7 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.929 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 19.8 m170 -73.11 143.65 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.7 p -50.56 -51.39 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.526 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 34.5 p90 -67.64 -16.35 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.526 ' SG ' ' CE1' ' A' ' 82' ' ' PHE . 75.1 m -95.99 18.65 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.8 mt -113.19 153.57 28.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -129.52 104.08 17.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.639 0.733 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 178.77 24.22 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.318 -0.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 88' ' ' MET . 2.8 t -85.15 155.21 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.479 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 18.8 mmm -102.28 69.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' NZ ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -38.76 -27.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 88' ' ' MET . 72.5 m -128.62 173.76 10.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.0 134.99 19.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.555 ' HG3' ' CD1' ' A' ' 96' ' ' TRP . 53.8 Cg_endo -69.83 115.82 4.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 94' ' ' ASN . 76.3 p -34.07 -51.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 93' ' ' THR . 10.2 m120 -171.82 166.69 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.73 60.14 7.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.555 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 72.3 t90 -106.93 150.07 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -142.46 127.67 18.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.8 p -70.15 148.94 48.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -48.65 -52.04 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -48.09 -21.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.0 m -94.93 -47.87 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 103' ' ' ILE . 3.5 ptm180 -50.56 -31.87 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 102' ' ' ARG . 11.0 mm -33.8 118.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 86.8 m -88.91 86.04 6.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 tt -82.07 160.71 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.1 p -91.78 179.05 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.54 154.08 25.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.84 22.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 70.2 m -58.93 116.82 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.5 m -63.43 -58.0 8.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.469 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -123.21 146.9 47.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -52.87 -50.17 64.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.14 167.07 23.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t -104.22 102.08 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -49.21 -61.98 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.87 93.57 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.33 99.18 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.332 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -132.45 176.88 8.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 34.5 t -70.52 137.08 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.574 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -86.78 5.43 36.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.6 t -113.94 -55.71 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 14' ' ' ASP . 19.0 p -97.38 -25.63 15.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 29.7 m-20 70.72 47.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.9 m -137.9 149.86 65.64 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.66 0.743 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.77 -51.68 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 31.13 -114.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.521 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.78 133.09 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.461 ' N ' HD22 ' A' ' 19' ' ' LEU . 4.2 mm? -95.53 -46.3 6.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 20' ' ' LEU . 10.5 mp -72.62 -54.06 10.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -42.21 -46.16 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.456 ' NE2' HD11 ' A' ' 19' ' ' LEU . 12.6 pt20 -70.87 129.07 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.507 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 29.9 m-85 -65.84 152.45 44.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 30.1 t80 -119.23 120.59 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.8 t -71.71 157.18 38.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.7 p -102.28 -31.28 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.2 m -73.13 -62.46 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.0 -46.02 11.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 92.21 40.5 5.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -100.72 179.66 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 31' ' ' HIS . 1.2 m-70 -128.95 139.65 52.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CE2' ' HB1' ' A' ' 11' ' ' ALA . 82.0 m-85 -143.76 124.45 14.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 27.5 m80 -70.3 148.56 48.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.57 -33.18 70.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -47.4 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -53.19 -36.53 61.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.482 HD12 ' CB ' ' A' ' 32' ' ' TYR . 11.2 mt -95.15 -22.34 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 74.96 42.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.3 mt -110.86 149.16 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.36 97.78 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -46.69 111.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.3 p -124.83 154.19 70.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 4.11 2.4 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -104.03 -44.93 4.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 46' ' ' ARG . 22.4 mttm -64.73 -53.54 45.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 45' ' ' LYS . 47.2 mtp85 -32.08 -55.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.01 123.07 25.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.56 54.59 32.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.507 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 67.7 t90 -95.42 164.13 12.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 8.1 mt-30 -149.84 137.5 20.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.422 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 3.5 p -76.76 156.73 82.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.6 Cg_endo -69.77 -1.47 8.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 4.2 mm-40 -97.56 -20.83 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 96.7 m -112.97 -34.86 5.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' C ' HG13 ' A' ' 56' ' ' VAL . 2.8 ttpm? -51.07 134.35 26.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.425 HG13 ' C ' ' A' ' 55' ' ' LYS . 3.5 m -138.75 166.78 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 47.3 t -57.23 153.63 11.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -105.28 -21.42 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -78.37 -58.24 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.9 p -98.18 -30.19 12.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 57' ' ' CYS . 37.6 mmtt 66.88 48.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -131.84 108.65 9.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.9 p -76.86 127.45 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.11 -59.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -86.12 92.29 8.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.66 -58.37 3.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -47.47 -65.67 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -47.43 -48.15 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.605 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 2.9 tpp -45.16 111.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD2' HG11 ' A' ' 91' ' ' VAL . 18.2 mt -79.62 117.93 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.6 t -94.4 130.5 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.2 t -70.05 163.66 25.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 2.0 m-20 -101.43 -25.42 13.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.0 m -92.07 -68.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 16.0 p -80.16 -17.77 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 t70 58.79 46.19 14.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 1.3 mmpt? -93.02 164.76 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.6 128.03 8.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 96.2 m-85 -147.34 114.94 6.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.903 0.382 . . . . 0.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 27.1 m170 -57.79 135.23 56.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.0 p -48.11 -40.81 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 6.7 p90 -75.04 -26.1 59.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 89.8 m -86.99 25.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.48 HD11 ' CG ' ' A' ' 88' ' ' MET . 71.1 mt -108.62 151.05 26.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 44.3 tt0 -128.47 101.92 20.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 84' ' ' LEU . 54.1 Cg_endo -69.73 -177.06 13.67 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.339 -0.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 84' ' ' LEU . 5.9 t -83.95 150.32 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.48 ' CG ' HD11 ' A' ' 84' ' ' LEU . 14.1 mmm -97.43 141.06 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.45 -42.33 9.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.4 p -135.97 175.23 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 70' ' ' LEU . 58.7 t -103.39 123.73 40.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 106.25 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 p -59.04 -31.46 68.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.415 ' CG ' ' N ' ' A' ' 95' ' ' GLY . 1.8 p30 -64.92 -48.86 72.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' A' ' 94' ' ' ASN . . . 162.2 142.06 3.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.461 ' CD1' ' HE1' ' A' ' 88' ' ' MET . 53.2 t90 -111.66 153.24 26.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -139.1 117.72 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.1 p -69.33 166.41 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -67.8 -38.08 82.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 100' ' ' ASN . 41.0 t-20 -59.67 -26.39 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 16.4 m -92.47 -53.38 4.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 103' ' ' ILE . 2.3 ptp180 -42.72 -29.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 102' ' ' ARG . 21.3 mm -33.56 140.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 11.9 m 58.99 49.06 10.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.7 tt -90.12 116.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.6 t -157.23 140.08 15.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.89 155.52 3.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 153.43 68.92 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.6 t -122.39 114.8 21.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.4 m -101.01 108.29 19.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.509 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -57.64 107.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -153.68 160.53 42.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.61 -55.89 0.22 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p 43.78 41.74 3.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -101.8 41.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.19 -135.21 12.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.37 27.27 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.055 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -91.83 172.46 8.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 6.4 t -64.65 130.26 42.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.449 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . . . -86.01 6.0 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.3 t -112.64 -42.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.5 -28.02 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 14.3 t0 71.29 50.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.1 m -141.45 138.74 17.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.76 -50.07 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 36.69 -124.1 0.91 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.57 135.06 37.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.333 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 19' ' ' LEU . 4.4 mm? -86.45 -45.99 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.64 -38.12 89.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -49.31 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.515 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 26.1 pt20 -85.93 150.49 24.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.525 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 70.2 m-85 -81.26 168.26 18.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -136.57 111.13 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.7 t -62.09 157.4 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.6 p -103.87 -37.85 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.5 m -66.44 -62.98 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.4 p -87.83 -41.95 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.51 37.55 6.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 22.5 mm100 -93.44 165.29 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -119.61 147.17 44.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CG ' HD12 ' A' ' 37' ' ' LEU . 86.6 m-85 -156.93 127.43 6.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.515 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 43.5 m80 -75.92 151.09 37.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.16 -29.95 72.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 36' ' ' CYS . 9.2 ptm -84.37 -34.33 23.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 35' ' ' MET . 12.8 m -66.47 -38.1 86.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 32' ' ' TYR . 12.4 mt -96.97 -18.87 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t0 74.59 43.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mt -111.24 146.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.45 119.95 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.17 119.38 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.3 p -133.96 152.65 78.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.688 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.59 8.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' C ' HD11 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -98.51 -53.93 3.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' ARG . 27.0 mttp -58.43 -53.0 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . 42.1 mtt180 -33.62 -42.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.66 117.48 7.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 41.53 50.13 4.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.525 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 49.1 t90 -70.47 127.06 31.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -105.08 126.81 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.472 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 3.6 p -58.53 158.58 14.69 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.2 Cg_endo -69.87 -3.02 11.25 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -97.84 -11.04 23.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' LYS . 87.6 m -120.57 -42.48 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' CYS . 8.2 pttm -34.4 135.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 31.8 m -140.75 172.09 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' LYS . 49.1 t -67.27 108.43 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -66.19 -20.77 66.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.05 -56.61 7.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 25.7 p -105.78 15.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' CYS . 25.2 mmtp 39.66 47.6 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 45.3 mm-40 -146.8 162.87 37.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.462 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 12.5 p -129.57 130.97 46.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.74 -118.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -39.13 105.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -70.38 -40.94 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -68.59 -51.24 44.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -59.32 -45.24 91.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.61 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -49.62 146.55 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.8 mt -112.41 151.07 30.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.434 HG11 ' N ' ' A' ' 72' ' ' CYS . 61.3 t -120.11 140.12 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.434 ' N ' HG11 ' A' ' 71' ' ' VAL . 6.5 t -88.49 136.89 32.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -88.42 8.09 29.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.7 m -117.81 -61.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.96 -22.06 21.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.1 t0 68.57 52.48 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -111.63 172.54 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.43 134.71 12.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.519 ' HB2' ' CH2' ' A' ' 96' ' ' TRP . 48.5 m-85 -147.49 118.71 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.966 0.412 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.61 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 33.3 m170 -65.33 149.88 49.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 p -68.52 -19.9 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -110.28 27.27 9.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.8 m -125.39 -17.75 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' PRO . 9.6 mt -78.1 149.21 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 37.2 mt-30 -122.23 102.09 40.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.2 Cg_endo -69.77 176.53 32.27 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.328 0.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -88.48 164.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.526 ' HE2' ' CD1' ' A' ' 96' ' ' TRP . 2.4 mmt -100.33 93.3 5.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -46.25 -40.48 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.5 m -130.24 176.71 7.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.9 t -107.18 129.13 24.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.586 0.708 . . . . 0.0 111.208 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 150.9 68.71 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -73.48 94.34 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m120 43.44 43.66 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -150.3 61.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.526 ' CD1' ' HE2' ' A' ' 88' ' ' MET . 54.7 t90 -110.12 150.26 28.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -151.43 121.77 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.08 171.64 7.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -71.85 -56.82 5.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.95 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.479 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 2.5 t-20 -41.41 -25.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 99' ' ' LYS . 22.1 m -96.13 -38.87 9.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 103' ' ' ILE . 5.8 ptt180 -49.26 -30.0 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 3.5 mp -45.83 133.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.46 130.45 46.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.4 tt -111.52 145.84 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.8 t -150.45 114.63 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.76 -171.0 39.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.38 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.7 p -119.5 171.15 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 75.7 m -152.88 174.02 14.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.474 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m 59.61 42.14 17.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 p -89.73 -49.21 6.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.82 -134.04 49.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -86.18 89.8 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.804 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -100.25 142.89 31.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.86 117.97 3.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . -93.01 103.24 15.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.403 ' ND2' ' HD3' ' A' ' 16' ' ' PRO . 25.6 m-20 -110.31 175.51 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 14.0 t -50.63 150.19 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.73 -12.36 23.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -95.71 -56.39 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.41 -31.47 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.452 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.7 t70 74.95 47.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -139.36 151.35 66.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.81 -51.52 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 32.88 -124.62 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.442 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.14 130.37 37.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.0 -38.87 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.69 -53.56 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -50.78 -45.9 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.46 ' OE1' ' ND1' ' A' ' 31' ' ' HIS . 3.1 pt20 -69.46 156.64 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.579 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 18.7 m-85 -93.02 169.29 10.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -135.65 111.06 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.56 156.56 29.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -100.78 -32.4 10.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.9 m -72.29 -64.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.6 p -86.45 -43.63 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.67 40.22 6.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -93.43 171.54 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 8' ' ' ALA . 18.4 m170 -112.74 139.13 48.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.512 ' CG ' HD12 ' A' ' 37' ' ' LEU . 89.8 m-85 -145.46 121.17 10.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.457 ' CD2' HE21 ' A' ' 22' ' ' GLN . 41.2 m80 -76.71 152.44 35.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.21 -27.1 64.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.7 mmt -87.93 -45.52 10.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.4 m -51.12 -36.45 40.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.512 HD12 ' CG ' ' A' ' 32' ' ' TYR . 12.6 mt -104.03 -0.06 29.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 56.38 41.53 28.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -103.39 151.68 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.04 100.8 12.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.8 t -41.33 131.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 t -140.99 146.23 42.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.76 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 tp -103.27 -48.77 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 54.3 mttt -64.23 -49.92 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 12.9 mtp-105 -32.81 -42.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.74 99.01 12.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.16 50.89 4.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 77.9 t90 -86.3 139.7 30.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.303 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -122.89 135.58 54.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 2.5 p -79.15 157.37 75.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 54.4 Cg_endo -69.75 -3.91 12.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 15.6 mm-40 -97.44 -16.71 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 55' ' ' LYS . 98.4 m -119.29 -51.27 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.1 pttm -29.51 142.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 63' ' ' SER . 28.4 m -145.15 176.59 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.45 118.93 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -84.41 11.05 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -106.37 -33.23 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 22.8 p -131.71 -1.08 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 52.76 54.14 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.435 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 25.3 mt-30 -145.34 129.93 17.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.475 ' HB2' ' CG1' ' A' ' 56' ' ' VAL . 43.8 t -117.69 121.96 42.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.91 -64.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.35 80.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -57.78 -57.11 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 p -45.29 -61.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -56.66 -39.06 73.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.6 ttm -58.77 132.49 54.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 97.5 mt -100.83 119.0 38.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.7 t -92.74 106.5 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.0 t -67.26 159.14 29.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 24.4 t0 -101.05 -41.8 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -62.97 -60.89 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 76' ' ' ASP . 18.3 p -89.66 -45.54 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 33.8 t0 72.06 54.97 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -103.36 -67.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.0 122.27 2.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -146.83 118.49 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -56.19 142.08 38.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.3 p -49.05 -50.05 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -67.55 -25.42 65.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 54.9 m -83.78 23.63 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.467 HD11 ' CG ' ' A' ' 88' ' ' MET . 97.0 mt -117.71 137.08 52.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -122.1 105.24 37.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 173.83 42.72 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.732 -1.778 . . . . 0.0 112.326 -0.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.2 t -84.42 148.93 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.467 ' CG ' HD11 ' A' ' 84' ' ' LEU . 45.6 mmm -86.92 92.06 8.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 0.1 OUTLIER -45.47 -38.54 6.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.2 m -124.62 176.23 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 92' ' ' PRO . 98.6 t -110.25 137.54 20.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.741 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.583 ' HG3' ' CD1' ' A' ' 96' ' ' TRP . 53.7 Cg_endo -69.76 152.18 69.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.3 p -125.64 29.93 5.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 95' ' ' GLY . 53.4 t30 -173.39 108.43 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 94' ' ' ASN . . . 32.31 93.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.583 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 30.4 t90 -81.35 158.57 24.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 13.6 mmtm -131.85 110.26 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.71 147.52 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 101' ' ' CYS . 2.5 ttmm -40.9 -65.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 99' ' ' LYS . 25.3 t-20 -35.93 -29.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' A' ' 99' ' ' LYS . 33.7 m -94.97 -44.82 7.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -40.82 -38.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 4.2 mp -38.42 144.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.3 p -101.19 -25.37 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.2 tt -127.91 81.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.8 p -106.65 129.22 54.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -84.59 152.93 28.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.66 65.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.1 p -74.01 -46.96 40.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.4 p 43.87 42.4 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.196 -0.78 . . . . 0.0 112.479 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 55.5 m -37.49 132.79 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 110.864 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -82.04 135.97 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.77 -80.48 1.07 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.452 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -122.32 131.45 53.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -169.66 152.19 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.17 -168.96 12.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.02 26.98 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -104.61 177.46 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.7 t -67.56 140.01 56.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.41 6.08 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.61 -42.17 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -109.97 -25.29 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 31.5 m-20 68.25 49.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 m -139.91 145.73 43.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.362 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.3 -112.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.64 135.37 50.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -86.24 -44.68 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' CD1' ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -68.06 -52.88 30.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -45.29 -41.79 9.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 14.3 pt20 -84.06 143.22 29.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.447 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 53.3 m-85 -75.88 169.86 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -136.29 124.56 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 t -76.83 155.24 33.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 p -101.44 -32.15 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.2 m -72.02 -66.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.8 p -83.42 -41.77 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.73 42.53 5.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.12 177.91 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.942 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 12.4 m-70 -123.9 148.47 46.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 76.8 m-85 -156.57 122.53 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 40.0 m80 -68.5 168.18 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.21 -26.09 62.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.445 ' HG3' ' N ' ' A' ' 36' ' ' CYS . 11.9 ptm -88.24 -35.22 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 35' ' ' MET . 1.8 m -60.87 -34.07 74.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.1 mt -111.03 -2.19 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 61.62 42.9 10.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -101.32 143.04 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.14 109.78 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.4 t -66.13 106.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.5 p -124.24 152.62 67.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -3.39 11.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.686 2.257 . . . . 0.0 112.396 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' CG2' ' A' ' 74' ' ' THR . 7.1 tp -105.44 -39.51 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 46' ' ' ARG . 35.0 ttmt -65.43 -49.82 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 45' ' ' LYS . 70.8 mtp180 -33.68 -46.56 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.89 132.59 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.88 39.24 89.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.447 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 90.5 t90 -90.25 162.86 15.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.733 0.301 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -158.41 137.46 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.44 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 4.2 p -68.69 157.0 89.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.4 Cg_endo -69.8 -1.71 8.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -98.0 -21.94 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 99.7 m -112.53 -33.65 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -56.37 146.66 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.2 m -157.01 169.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.4 t -56.57 153.28 10.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -108.45 -16.55 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -83.61 -46.08 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.5 p -109.79 -28.42 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp 66.27 52.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -135.68 108.68 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.5 p -76.5 166.43 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.31 -84.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.52 83.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -73.65 -53.31 10.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -40.97 -65.88 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -55.24 -42.58 73.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 1.3 tpp -53.03 136.19 35.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 84' ' ' LEU . 3.1 mt -94.8 150.78 19.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.8 t -131.07 98.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.8 t -47.83 164.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -102.89 -32.66 9.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.458 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 27.6 m -84.3 -70.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.79 -20.0 50.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 56.32 53.55 8.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -91.95 -174.36 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.84 117.23 1.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 34.2 m-85 -145.47 118.26 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.899 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.593 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 35.2 m170 -61.33 136.3 58.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.4 p -48.29 -35.27 11.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 14.8 p90 -81.66 -20.52 39.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.2 m -89.3 25.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 70' ' ' LEU . 80.5 mt -112.85 141.1 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.3 104.76 40.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.8 Cg_endo -69.78 173.1 46.02 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.318 0.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 88' ' ' MET . 2.9 t -78.2 153.65 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.446 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 4.7 mtt -86.75 108.47 18.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -31.51 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 p -137.56 174.17 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.2 t -108.16 130.61 22.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.562 ' HG3' ' CD1' ' A' ' 96' ' ' TRP . 53.3 Cg_endo -69.77 168.56 21.22 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.1 m -134.6 -35.68 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 95' ' ' GLY . 0.9 OUTLIER -86.45 87.41 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 94' ' ' ASN . . . 31.99 91.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.562 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 58.2 t90 -67.07 145.29 55.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -122.94 118.16 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.5 p -72.46 167.6 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 101' ' ' CYS . 18.8 tptm -61.93 -62.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -38.87 -25.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 99' ' ' LYS . 13.5 m -93.83 -37.37 11.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 99' ' ' LYS . 2.0 ptm180 -48.79 -24.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 1.8 mp -48.82 148.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.1 p -67.38 121.14 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.7 tp -97.71 145.03 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -46.98 127.79 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -149.65 175.23 28.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 177.6 5.42 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.7 t -163.39 150.01 12.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.1 p -40.39 151.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.51 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p -104.36 128.14 52.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -125.99 90.12 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.06 100.03 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -162.71 132.99 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -143.14 172.37 12.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.28 -65.02 1.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB2' ' CG ' ' A' ' 31' ' ' HIS . . . -74.53 94.36 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.04 153.76 18.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 17.8 t -60.55 123.67 18.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.478 ' HB1' ' CE1' ' A' ' 32' ' ' TYR . . . -72.97 5.8 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.3 t -115.44 -49.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 10' ' ' CYS . 17.4 p -107.24 -21.63 12.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 9.1 m-20 64.76 53.08 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -143.2 139.09 16.25 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.721 0.772 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.79 -52.66 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.06 -109.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.41 129.74 48.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' N ' HD22 ' A' ' 19' ' ' LEU . 4.0 mm? -95.71 -30.46 13.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.93 -31.17 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.91 37.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -117.4 116.43 27.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.576 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 53.1 m-85 -66.0 151.0 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -125.06 114.85 19.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.0 t -76.49 156.22 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.3 p -98.41 -32.66 11.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -72.83 -67.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 20.4 p -84.63 -46.34 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 90.45 43.77 4.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -98.66 178.75 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 8' ' ' ALA . 9.1 m-70 -122.63 141.75 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.478 ' CE1' ' HB1' ' A' ' 11' ' ' ALA . 94.7 m-85 -146.9 144.76 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -81.28 161.6 23.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -76.38 -28.7 59.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.545 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.7 ttt -88.2 -44.94 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.4 m -50.07 -39.36 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD11 ' CG ' ' A' ' 32' ' ' TYR . 28.3 mt -101.52 8.98 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 52.77 36.9 22.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' GLY . 78.6 mt -101.08 146.48 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . . . -97.76 98.03 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.9 t -48.01 123.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 44' ' ' LEU . 31.0 p -139.74 155.16 71.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 111.122 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 9.74 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.341 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 42' ' ' THR . 0.6 OUTLIER -102.58 -47.4 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 46' ' ' ARG . 4.9 mtmp? -69.98 -52.48 23.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 45' ' ' LYS . 49.8 mtt-85 -30.47 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . -76.7 97.75 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.76 53.06 48.4 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.586 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 60.8 t90 -71.62 159.29 34.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.719 0.295 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.456 ' O ' ' CE2' ' A' ' 49' ' ' TRP . 7.2 mt-30 -128.0 140.97 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.586 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.6 p -87.71 157.37 52.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.465 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.6 Cg_endo -69.75 -2.58 10.41 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 23.9 mt-10 -97.53 -18.31 19.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' C ' ' A' ' 55' ' ' LYS . 71.4 m -118.73 -43.7 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 54' ' ' CYS . 8.9 ptmm? -30.31 142.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.0 m -146.81 175.35 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.064 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 37.2 t -72.36 149.21 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.553 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 23.5 mm-40 -109.33 -11.57 14.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -85.75 -32.96 21.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.57 -21.82 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 57' ' ' CYS . 24.1 mmtp 63.15 54.81 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.27 128.61 14.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.3 p -98.59 124.85 43.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.19 -71.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -81.48 104.01 11.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -82.05 -50.05 9.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.3 p -53.62 -44.65 69.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -83.27 40.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.601 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 2.1 tpp -133.11 139.59 47.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' A' ' 96' ' ' TRP . 75.1 mt -108.19 138.75 43.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 81.2 t -110.55 118.98 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 40.2 t -69.36 127.98 34.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.97 24.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 m -132.17 -53.21 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 28.7 p -105.61 -26.84 11.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 72.93 44.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -103.86 102.55 12.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.8 135.46 42.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 28.9 m-85 -146.97 113.92 6.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.936 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.601 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 25.2 m170 -57.74 136.83 56.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.6 p -47.36 -39.56 15.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 10.7 p90 -76.23 -24.43 54.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.0 m -85.13 25.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 86' ' ' PRO . 97.9 mt -122.27 141.33 51.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -119.74 107.95 39.77 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.74 172.9 46.77 Favored 'Cis proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.374 -0.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -80.37 148.42 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.7 mmt -88.49 147.97 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -101.76 -42.5 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.7 p -131.83 171.01 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.63 124.08 54.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.709 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.449 ' HD2' ' CD2' ' A' ' 70' ' ' LEU . 53.2 Cg_endo -69.8 163.25 38.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.6 m -121.35 -46.75 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -49.09 -52.11 27.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 164.69 126.22 0.81 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.503 ' CE2' HD11 ' A' ' 70' ' ' LEU . 71.6 t90 -103.08 147.12 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.57 130.26 19.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.4 p -76.51 143.48 40.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 100' ' ' ASN . 17.6 ttmm -41.6 -60.43 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 99' ' ' LYS . 27.7 t30 -34.99 -36.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' LYS . 62.3 m -89.23 -42.75 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 103' ' ' ILE . 15.9 mtp180 -49.41 -37.12 24.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 102' ' ' ARG . 29.1 mm -32.44 121.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 16.8 t -76.84 98.85 4.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' SER . 10.3 tt -117.34 149.34 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' ILE . 1.7 t -37.83 -47.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 52.31 172.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 129.04 16.92 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.356 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.5 m -58.48 -58.16 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.4 t -95.64 151.81 19.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' CD2' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.807 0.337 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -58.18 170.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 3.7 t -55.04 129.24 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.762 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -84.97 6.21 26.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG23 ' HD2' ' A' ' 32' ' ' TYR . 91.5 t -111.75 -48.17 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' ASP . 21.2 p -103.7 -27.27 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 21.6 t0 73.9 47.23 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.4 t -140.82 145.97 42.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.641 0.734 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.82 -41.77 3.91 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.68 2.254 . . . . 0.0 112.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 33.6 -129.75 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.92 131.51 42.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.86 -50.76 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.44 -43.18 99.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.26 -49.03 73.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' OE1' ' CB ' ' A' ' 31' ' ' HIS . 25.4 pt20 -82.82 148.65 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 21.4 m-85 -78.99 164.54 24.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -131.28 116.18 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.1 t -66.23 157.08 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.0 p -103.42 -34.47 8.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.9 m -68.41 -65.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.7 p -83.72 -42.32 16.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.96 36.74 5.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -102.02 169.89 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 8' ' ' ALA . 5.1 m-70 -125.77 151.18 47.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.762 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 74.9 m-85 -151.85 121.42 6.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -62.71 152.62 35.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.29 -29.64 73.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.0 mmt -82.93 -40.26 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.89 -39.42 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.594 HD12 ' CB ' ' A' ' 32' ' ' TYR . 11.6 mt -102.98 1.24 33.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 56.76 39.79 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -100.38 147.2 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.96 109.34 20.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.75 120.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.2 p -131.42 155.2 81.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.01 15.18 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.527 HD23 HG22 ' A' ' 74' ' ' THR . 19.1 tp -105.16 -43.36 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -57.96 -49.04 78.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -40.31 -56.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.29 117.83 17.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.26 37.81 35.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' A' ' 23' ' ' PHE . 24.8 t90 -81.35 142.54 32.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.709 0.29 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -136.13 125.04 24.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 53' ' ' GLU . 2.4 p -60.57 155.28 50.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -1.5 8.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 5.0 mm-40 -96.86 -24.3 15.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.585 ' O ' HG13 ' A' ' 56' ' ' VAL . 85.3 m -108.17 -35.43 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -47.84 132.04 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 54' ' ' CYS . 17.0 m -130.99 173.38 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 61' ' ' LYS . 51.6 t -74.92 112.55 11.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -72.12 1.16 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -96.19 -49.62 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.7 p -112.79 -21.66 11.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 62.96 54.86 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -139.69 109.71 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 p -83.63 119.87 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.16 -56.32 0.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -78.68 49.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -49.56 -47.7 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -49.08 -54.93 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -83.5 41.49 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 ttt -124.18 112.4 17.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.823 HD12 HD11 ' A' ' 84' ' ' LEU . 94.2 mt -79.76 136.55 36.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.39 110.06 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.9 t -50.61 161.95 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.85 -3.98 25.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.527 HG22 HD23 ' A' ' 44' ' ' LEU . 92.3 m -112.5 -71.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.169 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.42 -32.6 72.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 72.13 46.83 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 7.3 mmmm -108.3 141.08 40.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 79' ' ' TYR . . . -87.05 132.88 11.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 34.3 m-85 -146.3 121.99 10.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.923 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 25.3 m-70 -68.08 135.54 52.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.5 p -47.02 -44.48 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 9.2 p90 -72.17 -20.9 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.1 m -95.71 26.06 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.823 HD11 HD12 ' A' ' 70' ' ' LEU . 77.4 mt -112.73 147.23 37.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 46.3 tp60 -123.73 104.01 33.87 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' LEU . 54.1 Cg_endo -69.74 179.73 21.43 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.385 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 t -83.37 149.75 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' LYS . 31.7 mmm -97.9 78.42 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' MET . 34.3 mmtm -35.2 -38.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.1 m -132.98 175.97 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.458 HG13 ' HD2' ' A' ' 92' ' ' PRO . 71.8 t -106.52 133.69 20.14 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.157 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.458 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.0 Cg_endo -69.72 160.02 51.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.8 m -65.83 -64.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -157.96 152.54 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.4 72.72 1.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.55 ' CE2' HD13 ' A' ' 70' ' ' LEU . 67.8 t90 -111.71 150.4 30.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -136.29 150.2 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.8 p -96.52 174.33 6.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HA ' ' CG ' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -73.33 -36.34 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.422 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 75.5 m-20 -66.61 -21.07 66.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' A' ' 103' ' ' ILE . 2.2 m -94.74 -56.32 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -45.63 -21.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 11.5 mm . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.815 0.341 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -103.04 172.28 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.506 ' SG ' HG23 ' A' ' 12' ' ' VAL . 1.8 t -49.97 137.06 17.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.602 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -89.48 5.66 44.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -120.6 -41.15 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.129 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.69 -19.12 13.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 21.0 m-20 61.37 42.85 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.55 143.97 50.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.849 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.1 Cg_endo -69.84 -48.5 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.6 -133.13 0.64 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.86 127.01 38.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.84 -40.34 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.46 -33.13 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.86 -51.09 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.474 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 4.6 pt20 -75.12 136.25 41.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.51 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 66.7 m-85 -73.89 158.19 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 24' ' ' PHE . 8.0 t80 -120.9 98.39 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.4 t -46.28 154.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -101.92 -28.69 12.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.3 m -73.98 -65.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.75 -39.73 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.79 41.46 5.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -102.55 170.44 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 63.1 m170 -116.64 139.65 50.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.602 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 78.5 m-85 -145.66 127.94 15.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.474 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 28.6 m170 -70.15 157.2 38.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.17 -20.26 76.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.8 -47.36 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.581 ' C ' HD22 ' A' ' 37' ' ' LEU . 73.2 m -56.22 -17.97 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.581 HD22 ' C ' ' A' ' 36' ' ' CYS . 0.8 OUTLIER -116.67 -3.02 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 62.56 34.69 14.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -100.71 141.07 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 42' ' ' THR . . . -92.39 101.99 14.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -44.96 103.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 40' ' ' ALA . 32.5 p -123.06 153.83 64.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 2.54 3.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.502 ' CD2' HG22 ' A' ' 74' ' ' THR . 12.7 tp -104.95 -38.92 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' ARG . 28.7 mttt -72.86 -49.54 29.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.0 mtt180 -33.99 -42.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.81 107.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.86 56.12 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 64.1 t90 -57.99 142.75 45.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.719 0.295 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -110.27 130.88 55.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.8 p -76.49 158.11 81.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.601 0.715 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.3 Cg_endo -69.75 -9.65 26.64 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -91.29 -17.79 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.1 m -117.04 -17.33 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 139.68 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG12 ' HB2' ' A' ' 63' ' ' SER . 7.6 m -152.8 164.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.3 t -56.86 152.93 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -109.31 -16.2 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -81.86 -45.64 15.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.6 p -108.23 -26.35 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt 65.84 53.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -152.39 106.65 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.436 ' HB2' HG12 ' A' ' 56' ' ' VAL . 1.5 t -82.56 131.39 35.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.79 -47.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -96.78 87.66 4.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 67' ' ' SER . 2.7 p-10 -65.5 -50.72 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 66' ' ' ASP . 3.8 t -49.29 -62.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.47 -37.35 75.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.1 ttm -55.92 130.01 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 84' ' ' LEU . 15.5 mt -101.86 121.13 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.8 t -97.18 108.81 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.1 t -51.11 163.9 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.02 -18.08 13.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.502 HG22 ' CD2' ' A' ' 44' ' ' LEU . 69.0 m -94.66 -63.48 1.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 20.2 p -85.38 -22.34 28.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t70 66.53 46.32 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 16.5 mmtt -96.44 -174.67 3.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.24 124.3 4.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 21.7 m-85 -146.92 118.1 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -65.32 145.83 55.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.7 p -49.11 -51.69 30.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -67.2 -20.11 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 34.0 m -90.38 22.62 3.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.457 HD11 HD12 ' A' ' 70' ' ' LEU . 78.8 mt -111.74 146.21 37.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -125.52 102.56 29.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.9 Cg_endo -69.8 178.44 25.55 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.332 0.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.9 t -83.84 150.69 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.0 mmm -95.7 144.91 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.404 ' N ' ' HE3' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -90.7 -42.43 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.4 p -136.29 178.01 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG13 ' CD2' ' A' ' 70' ' ' LEU . 60.6 t -103.72 114.72 64.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.741 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 139.7 40.57 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.258 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.0 p -101.64 20.12 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -117.21 48.94 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.91 99.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -76.2 158.43 31.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 102' ' ' ARG . 5.2 ttpp -140.51 123.19 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.91 144.63 30.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 100' ' ' ASN . 1.1 tmtp? -38.66 -63.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 99' ' ' LYS . 9.1 t-20 -36.17 -36.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 33.2 m -85.42 -49.62 7.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 103' ' ' ILE . 37.9 mtt180 -42.78 -34.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 102' ' ' ARG . 28.6 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.62 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.803 0.335 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -104.32 158.12 16.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 14' ' ' ASP . 42.2 t -57.8 123.62 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.739 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -74.58 5.61 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -115.09 -38.3 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.63 -19.01 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.0 t70 61.25 53.59 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.2 m -129.9 123.13 20.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.699 0.761 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.73 -8.69 24.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -31.66 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.56 108.96 17.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.7 mt -95.67 -44.92 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.06 -44.84 29.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -48.62 -41.4 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -72.68 160.81 31.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.458 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 5.9 m-85 -96.86 173.62 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -134.97 112.68 10.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.9 t -61.15 154.05 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -102.53 -22.07 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.4 m -81.75 -64.22 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.86 -42.87 12.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.84 36.94 5.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -97.53 176.05 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.62 ' CE1' ' HB1' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -132.31 153.48 50.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.739 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 53.1 m-85 -157.45 140.93 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -76.3 145.64 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -63.84 -18.39 61.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.459 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.14 -45.5 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.0 m -55.47 -32.03 62.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 32' ' ' TYR . 14.1 mt -101.82 -4.6 26.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 66.14 37.69 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' GLY . 38.5 mt -100.92 136.01 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 42' ' ' THR . . . -86.23 103.87 15.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -49.44 109.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 40' ' ' ALA . 41.2 p -126.84 154.1 76.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 0.0 111.162 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 4.61 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 75' ' ' CYS . 2.5 tt -102.53 -48.45 4.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' ARG . 47.7 mttt -65.8 -55.29 17.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 74.8 mtp180 -34.76 -50.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.63 105.27 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.47 52.58 12.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.458 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 55.5 t90 -79.81 162.04 25.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.694 0.283 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -149.78 120.27 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.2 p -56.0 156.77 9.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.7 Cg_endo -69.77 -11.8 31.56 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.85 -13.67 41.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 99.0 m -122.77 -20.54 5.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 52' ' ' PRO . 15.9 ptmt -58.64 151.32 21.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 63' ' ' SER . 16.7 m -156.99 168.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.598 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 46.2 t -66.91 113.18 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -69.17 -19.55 64.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.406 ' OD1' ' SG ' ' A' ' 57' ' ' CYS . 5.3 m120 -69.16 -60.07 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.6 p -99.25 2.28 45.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' CYS . 43.2 mmtm 54.09 36.34 24.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 27.3 mt-30 -141.66 156.66 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.533 ' HB2' HG12 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -120.82 -175.61 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.31 -79.24 0.37 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -61.39 89.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -72.93 -58.28 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 p -45.48 -47.49 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -71.45 -39.28 71.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.5 ttm -55.35 117.38 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 96' ' ' TRP . 9.5 mt -91.09 118.18 30.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.94 110.05 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.4 t -55.94 163.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.4 -16.35 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.7 m -96.41 -62.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.426 ' HA ' HD22 ' A' ' 44' ' ' LEU . 28.1 p -82.98 -24.81 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.9 t70 63.53 52.12 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -113.86 149.95 34.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -91.41 127.22 8.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -142.98 116.22 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 8.7 m-70 -66.75 134.37 52.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.498 HG22 HD11 ' A' ' 70' ' ' LEU . 22.9 p -44.07 -51.21 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 80' ' ' HIS . 24.9 p90 -66.27 -21.73 66.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 80' ' ' HIS . 95.5 m -92.23 20.52 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.495 HD11 ' HZ2' ' A' ' 96' ' ' TRP . 20.1 mt -108.66 146.49 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 14.9 pt20 -126.35 102.96 26.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.8 Cg_endo -69.76 177.67 28.06 Favored 'Cis proline' 0 C--N 1.342 0.235 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.365 -0.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 t -84.43 149.76 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.455 ' HE3' ' HD3' ' A' ' 92' ' ' PRO . 35.7 mmm -90.55 120.6 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -67.58 -36.41 80.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.8 m -156.85 173.88 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 93' ' ' THR . 17.0 t -94.45 128.71 39.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 94' ' ' ASN . 54.0 Cg_endo -69.78 2.35 3.62 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.641 ' H ' HG12 ' A' ' 91' ' ' VAL . 8.4 m 30.26 36.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 92' ' ' PRO . 63.8 t30 -173.32 105.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 46.38 97.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.613 ' CD1' HD22 ' A' ' 70' ' ' LEU . 81.2 t90 -110.59 115.52 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -103.47 131.43 50.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -83.49 169.33 15.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.526 ' O ' HD12 ' A' ' 103' ' ' ILE . 29.0 ttpt -64.37 -64.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -38.45 -26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 99' ' ' LYS . 28.7 m -95.31 -37.21 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -48.92 -33.39 10.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 99' ' ' LYS . 2.4 mp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.617 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -105.29 166.74 10.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' ASP . 13.2 t -50.51 122.16 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.881 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -73.93 4.22 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 t -115.52 -32.2 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 14' ' ' ASP . 10.4 p -130.57 18.69 5.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 13' ' ' CYS . 43.8 m-20 32.24 44.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.28 144.1 51.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.7 0.762 . . . . 0.0 110.843 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' GLY . 54.1 Cg_endo -69.78 -38.11 8.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.634 2.222 . . . . 0.0 112.376 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 36.9 -123.85 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -96.06 138.38 33.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.11 -20.94 18.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 mt -91.35 -34.73 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.63 -44.8 73.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -70.52 158.87 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.59 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 30.2 m-85 -101.19 152.41 20.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -111.65 117.22 32.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.4 t -69.18 150.97 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -97.23 -24.74 15.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.3 m -79.11 -70.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.161 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.24 -45.48 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.84 50.43 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -109.73 165.53 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.617 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 23.4 m170 -112.81 134.98 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.881 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 86.0 m-85 -136.28 124.05 22.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -64.88 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.02 -19.01 60.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.9 mmm -93.31 -51.87 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.2 m -49.59 -28.23 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD13 HD11 ' A' ' 39' ' ' ILE . 12.1 mt -98.83 -22.53 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 72.82 40.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.446 HD11 HD13 ' A' ' 37' ' ' LEU . 49.1 mt -104.71 143.01 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.55 106.45 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.2 t -58.67 101.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.5 p -116.6 153.6 49.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.608 0.718 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 3.09 2.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -97.39 -37.6 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 28.5 mttt -76.9 -51.26 11.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 14.5 mtp-105 -36.61 -38.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.54 88.28 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.99 47.4 2.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 23' ' ' PHE . 75.4 t90 -85.44 150.88 24.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -133.18 128.55 36.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.22 156.7 87.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.86 33.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -89.69 -7.4 54.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.646 ' O ' HG13 ' A' ' 56' ' ' VAL . 73.2 m -125.82 -53.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 54' ' ' CYS . 12.3 pttm -29.96 143.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 54' ' ' CYS . 16.1 m -146.7 176.17 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.2 t -63.91 154.08 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.46 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 98.5 mm-40 -106.82 -19.83 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -84.18 -48.1 10.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.3 p -104.71 -30.99 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt 65.32 47.5 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -132.46 109.02 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.9 p -76.63 118.72 19.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.1 -62.53 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -81.14 98.2 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.93 -52.58 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.3 p -53.62 -46.18 70.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -87.79 46.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.472 ' SD ' ' CE1' ' A' ' 80' ' ' HIS . 1.4 tpp -133.19 99.84 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.567 ' CD1' HG22 ' A' ' 81' ' ' THR . 23.2 mt -68.42 98.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.6 t -77.45 103.42 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 6.2 t -48.21 159.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -99.78 -41.34 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.5 m -68.05 -69.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 18.2 p -77.01 -36.83 56.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 60.28 54.59 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -97.23 -71.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' ' CD1' ' A' ' 79' ' ' TYR . . . 140.06 121.05 1.8 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 14.8 m-85 -146.79 129.05 15.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.935 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.472 ' CE1' ' SD ' ' A' ' 69' ' ' MET . 66.0 m-70 -74.64 137.25 42.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 70' ' ' LEU . 23.2 p -53.89 -40.73 66.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' HA ' ' CG2' ' A' ' 87' ' ' VAL . 45.8 p90 -80.07 6.48 11.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -110.37 -1.38 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' PRO . 43.2 mt -91.97 155.07 18.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 3.0 tp-100 -126.46 103.8 25.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.9 Cg_endo -69.78 -177.69 15.13 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.368 -0.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -97.18 144.22 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.8 mmt -80.49 90.8 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -38.95 -39.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.8 m -132.69 174.32 10.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.2 t -104.2 127.77 28.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.668 0.747 . . . . 0.0 111.092 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.525 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.77 -174.62 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.3 m -93.61 -53.78 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -169.14 146.14 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.39 52.3 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -111.57 151.44 28.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HE3' ' C ' ' A' ' 101' ' ' CYS . 14.7 tttp -143.57 125.32 15.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.4 p -72.12 155.65 40.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 101' ' ' CYS . 1.0 OUTLIER -48.99 -58.07 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -45.73 -21.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.457 ' C ' ' HE3' ' A' ' 97' ' ' LYS . 2.7 m -95.85 -43.89 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -53.6 -21.29 6.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.1 mm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.747 0.308 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -105.96 169.53 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.7 t -51.49 141.28 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.644 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -91.92 4.43 52.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -111.78 -54.95 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.2 p -96.02 -29.31 14.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 74.32 47.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 m -137.05 145.77 51.82 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.686 0.755 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.76 -44.76 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.09 -111.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -111.95 143.96 42.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 19' ' ' LEU . 3.9 mm? -91.96 -49.95 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.8 mt -66.45 -37.55 85.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.78 -47.65 67.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' CD ' ' HB3' ' A' ' 31' ' ' HIS . 24.0 pt20 -87.24 155.92 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.485 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 37.8 m-85 -81.53 171.42 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' A' ' 25' ' ' CYS . 17.1 t80 -135.8 118.95 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.485 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 49.7 t -68.96 153.17 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.2 p -101.83 -25.95 13.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.9 m -76.9 -64.52 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 21.3 p -88.74 -46.07 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 99.86 35.88 4.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -93.95 167.52 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.93 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.477 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 5.0 m-70 -122.43 152.39 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.644 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 74.1 m-85 -157.2 123.9 5.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -73.07 146.06 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.21 -18.29 27.53 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.7 mmt -90.76 -43.27 10.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.02 -25.91 67.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 32' ' ' TYR . 13.5 mt -112.06 -2.84 14.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 58.77 42.14 20.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.5 mt -103.76 142.92 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 42' ' ' THR . . . -84.37 98.7 10.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.5 115.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 40' ' ' ALA . 45.6 p -128.51 151.66 77.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -6.09 17.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -102.93 -49.42 3.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -57.7 -40.44 79.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -44.55 -49.12 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.43 136.79 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.97 50.53 54.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.485 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 67.7 t90 -92.26 143.32 26.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -136.95 123.05 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 1.0 OUTLIER -56.67 157.05 10.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.651 0.739 . . . . 0.0 110.859 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.9 Cg_endo -69.75 -13.44 34.7 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.251 . . . . 0.0 112.394 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -87.65 -10.97 49.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.548 ' O ' HG13 ' A' ' 56' ' ' VAL . 91.7 m -122.69 -51.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.9 pttm -31.96 147.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.701 HG12 ' HB2' ' A' ' 63' ' ' SER . 22.3 m -146.01 166.31 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.54 138.66 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 50.2 mm-40 -91.43 -16.17 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -80.9 -53.17 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 28.3 p -101.56 10.33 40.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 42.17 34.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 60' ' ' CYS . 19.0 mt-30 -134.52 174.92 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.701 ' HB2' HG12 ' A' ' 56' ' ' VAL . 9.1 t -140.86 135.67 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.9 -93.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.8 99.23 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -70.2 -52.28 24.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 t -50.81 -53.27 33.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -65.77 -40.26 91.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.8 ttm -45.63 128.03 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD1' HD11 ' A' ' 84' ' ' LEU . 1.9 mt -89.85 130.73 36.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.8 t -108.82 112.19 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.486 ' HB3' ' N ' ' A' ' 76' ' ' ASP . 12.1 t -55.9 161.81 2.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.01 -30.79 10.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -82.36 -58.13 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.452 ' SG ' ' CD ' ' A' ' 77' ' ' LYS . 12.7 p -101.07 -13.35 18.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.486 ' N ' ' HB3' ' A' ' 72' ' ' CYS . 0.7 OUTLIER 40.2 50.53 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' CD ' ' SG ' ' A' ' 75' ' ' CYS . 11.8 mtpp -78.26 -68.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.51 121.6 2.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 61.0 m-85 -147.08 133.84 20.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.951 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -67.67 168.68 10.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 88' ' ' MET . 0.7 OUTLIER -90.02 -21.94 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -106.62 18.46 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.9 m -116.71 -16.13 10.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.522 ' O ' HG13 ' A' ' 87' ' ' VAL . 10.4 mt -78.14 157.67 29.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 36.9 tt0 -129.09 102.34 19.0 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.5 Cg_endo -69.79 173.64 43.87 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.327 0.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 84' ' ' LEU . 1.3 m -87.75 149.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.494 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 76.8 mtp -94.98 78.15 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' MET . 3.9 mptp? -33.62 -48.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.0 m -116.73 174.31 6.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.685 HG13 ' HD2' ' A' ' 92' ' ' PRO . 96.4 t -109.77 139.31 21.12 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.681 0.753 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.685 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.81 147.61 62.92 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.689 2.26 . . . . 0.0 112.317 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 m -40.66 -63.28 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -168.56 143.68 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.93 68.2 1.06 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -109.11 134.29 51.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -114.78 125.4 53.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.3 p -69.86 163.62 25.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -64.86 -41.66 95.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -59.04 -22.09 60.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.3 m -95.26 -43.03 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -61.63 -13.51 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' CB ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.777 0.322 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -44.73 144.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' ASP . 12.6 t -57.17 123.99 17.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -72.37 5.0 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.447 HG21 HD11 ' A' ' 37' ' ' LEU . 94.3 t -115.1 -45.59 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 p -113.5 -17.84 12.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 36.5 t70 61.52 54.38 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 m -140.18 139.59 21.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.77 -51.73 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 30.68 -110.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.49 117.73 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.77 -47.82 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.7 -39.25 93.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.64 -47.61 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.449 ' CD ' ' HB3' ' A' ' 31' ' ' HIS . 3.4 pt20 -81.07 135.56 35.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.539 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 82.9 m-85 -60.73 172.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -135.72 116.49 14.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.9 t -71.27 154.99 41.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -104.01 -33.36 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.6 m -68.37 -63.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -87.9 -43.76 11.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.06 34.59 5.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -100.72 157.12 16.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.548 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -107.53 156.83 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 56.6 m-85 -157.73 121.43 4.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -63.11 159.02 18.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.26 -19.68 79.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.3 tpt -94.56 -39.58 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.26 -27.91 49.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD11 HG21 ' A' ' 12' ' ' VAL . 9.8 mp -110.72 4.82 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.1 t70 58.57 36.94 25.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.1 mt -101.66 146.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 42' ' ' THR . . . -91.92 98.66 11.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -46.09 119.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 40' ' ' ALA . 37.7 p -132.76 154.45 81.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.29 2.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -104.51 -48.11 3.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 46' ' ' ARG . 18.0 mtmt -61.54 -54.71 39.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 45' ' ' LYS . 16.3 mtp-105 -34.14 -40.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.28 123.22 26.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.37 54.61 26.12 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.539 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 64.1 t90 -84.69 142.44 29.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.709 0.29 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -128.25 111.56 13.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 2.8 p -46.78 156.75 0.51 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 54.1 Cg_endo -69.79 -3.11 11.36 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.679 2.253 . . . . 0.0 112.377 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 4.1 mm-40 -96.42 -21.39 17.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.9 m -110.87 -32.08 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 4.2 ttpm? -59.52 139.22 57.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.409 HG12 ' HB3' ' A' ' 63' ' ' SER . 19.6 m -138.8 172.47 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 41.5 t -61.82 118.7 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -78.74 7.42 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -107.33 -39.17 5.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.2 p -122.15 -21.57 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.63 53.1 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -133.71 106.97 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.409 ' HB3' HG12 ' A' ' 56' ' ' VAL . 25.7 p -80.79 140.55 35.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.89 -58.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 69' ' ' MET . 2.4 mp0 -85.34 115.02 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.21 -55.01 3.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.1 t -49.75 -59.63 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -58.39 -43.15 88.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 9.1 ttm -53.61 107.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 mt -81.94 111.76 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.6 t -90.29 110.53 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.7 t -55.37 130.69 43.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -81.32 18.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.5 m -122.45 -59.14 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.06 -41.79 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 74.16 51.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 55' ' ' LYS . 40.2 mttt -89.31 -43.96 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.66 118.83 4.43 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.519 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -147.3 122.68 10.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 20.4 m-70 -71.97 137.55 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.438 ' HA ' HD12 ' A' ' 84' ' ' LEU . 25.1 p -44.99 -47.54 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 15.6 p90 -70.26 -23.33 62.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 63.1 m -87.57 21.13 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 86' ' ' PRO . 87.4 mt -112.75 137.45 51.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 5.3 tt0 -119.73 105.48 43.22 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.3 Cg_endo -69.83 175.12 38.05 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.303 0.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 t -84.69 149.77 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.419 ' HE1' ' CD1' ' A' ' 96' ' ' TRP . 7.8 mmm -86.71 138.3 31.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -88.91 -40.09 13.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.8 p -134.26 174.91 9.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.86 118.09 61.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.03 22.55 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 78.7 p -110.13 43.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -131.75 -52.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.5 86.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.419 ' CD1' ' HE1' ' A' ' 88' ' ' MET . 52.3 t90 -74.87 147.02 41.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.842 0.353 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -140.26 126.53 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.9 141.48 40.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 100' ' ' ASN . 18.2 tttp -41.73 -61.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 99' ' ' LYS . 14.8 m120 -34.65 -36.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' LYS . 22.4 m -85.94 -47.68 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 103' ' ' ILE . 49.6 mtp180 -46.46 -35.93 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 102' ' ' ARG . 29.1 mm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -104.35 175.93 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.4 t -68.11 130.63 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.648 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -85.76 6.33 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.477 HG21 HD11 ' A' ' 37' ' ' LEU . 88.7 t -111.43 -40.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 p -114.9 -28.27 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 14.0 t70 74.69 48.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.89 142.92 37.89 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.702 0.763 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -51.36 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.96 -116.92 0.62 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -114.0 117.98 32.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -78.62 -45.53 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.47 -40.55 95.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.08 -51.38 69.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -78.28 167.3 21.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.601 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 58.8 m-85 -79.79 162.01 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -136.43 111.09 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t -61.45 156.0 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 p -103.17 -34.97 8.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.177 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.2 m -68.02 -67.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 p -82.43 -34.59 28.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.62 35.95 12.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 62.7 mm-40 -96.28 167.43 11.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.504 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 27.1 m170 -125.77 145.26 50.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.648 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 9.0 m-85 -152.07 121.52 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -64.99 162.24 17.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' ASP . . . -73.25 -32.35 60.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ptm -77.85 -27.22 49.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.8 -24.17 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 32' ' ' TYR . 5.6 mp -122.64 -8.84 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 34' ' ' GLY . 32.4 t0 70.86 41.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -102.49 141.2 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.57 116.54 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.8 t -57.83 91.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.44 149.28 35.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 5.2 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.234 . . . . 0.0 112.396 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.466 HD23 ' C ' ' A' ' 44' ' ' LEU . 4.7 tt -102.97 -55.9 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 31.9 mttt -56.57 -53.32 58.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -38.8 -47.44 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.44 92.39 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.31 50.57 4.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 37.7 t90 -76.83 166.23 23.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 6.7 mt-30 -153.55 112.67 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 53' ' ' GLU . 1.9 p -50.8 155.58 1.93 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.626 0.727 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.38 16.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.286 . . . . 0.0 112.31 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.41 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.1 mt-10 -95.73 -17.1 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.2 m -115.84 -23.97 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -65.0 141.48 58.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 12.4 m -143.15 175.31 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 43.5 t -64.1 153.17 38.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -107.67 -20.68 13.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -78.08 -51.13 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.8 p -102.4 -30.27 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt 67.12 47.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -137.57 104.33 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.408 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 22.2 p -74.35 142.18 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.46 -65.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -75.78 55.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.53 -47.37 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.9 m -48.5 -51.05 29.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -85.78 38.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.8 ttt -122.42 106.75 11.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.624 HD12 HD11 ' A' ' 84' ' ' LEU . 22.9 mt -75.57 102.26 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.5 t -83.66 107.17 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.2 t -49.21 162.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.434 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 2.3 m-20 -105.36 -34.28 7.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.0 m -77.3 -72.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.418 ' HA ' HD22 ' A' ' 44' ' ' LEU . 13.5 p -80.59 -26.12 38.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t70 67.04 54.52 0.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 35.7 mttm -106.57 119.13 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.0 129.04 40.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.428 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 56.4 m-85 -146.92 114.34 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 33.9 m170 -62.41 137.93 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 87' ' ' VAL . 14.8 p -50.49 -37.19 37.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.588 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.0 p90 -78.01 -27.83 49.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.4 m -84.76 19.26 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.624 HD11 HD12 ' A' ' 70' ' ' LEU . 44.8 mt -101.39 150.14 23.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 32.4 tp60 -128.91 101.79 19.75 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.638 0.733 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.83 179.56 22.11 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.354 0.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 82' ' ' PHE . 3.0 t -85.76 146.46 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 15.7 mmm -93.37 131.15 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -77.02 -40.86 45.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.2 p -138.71 170.33 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -96.43 114.69 64.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.439 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.79 151.84 68.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.1 p -120.96 39.35 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -133.89 31.53 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.96 111.01 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.508 ' CE2' HD13 ' A' ' 70' ' ' LEU . 12.7 t90 -97.42 154.92 17.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.06 117.4 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.4 p -69.44 169.54 12.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.518 ' O ' HD12 ' A' ' 103' ' ' ILE . 10.4 tmtt? -61.15 -65.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.416 ' O ' HD13 ' A' ' 103' ' ' ILE . 2.0 t30 -38.53 -25.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 99' ' ' LYS . 18.5 m -94.88 -39.31 10.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' LYS . 14.6 ptt85 -45.34 -37.83 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 99' ' ' LYS . 2.9 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -135.96 174.16 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.6 t -64.54 143.43 57.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.878 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -94.35 4.52 53.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -113.36 -45.61 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 p -105.67 -28.57 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.8 t0 72.86 46.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -138.53 148.14 57.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.77 -46.69 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.9 -123.22 0.71 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -103.78 138.69 40.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.698 HD13 ' OE1' ' A' ' 22' ' ' GLN . 4.4 mm? -93.42 -32.27 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -71.89 -55.16 8.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -48.77 -45.31 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.698 ' OE1' HD13 ' A' ' 19' ' ' LEU . 3.8 pt20 -72.47 167.54 20.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.442 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 37.5 m-85 -106.33 160.44 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.402 ' CD2' ' O ' ' A' ' 24' ' ' PHE . 9.1 t80 -124.99 108.46 11.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -56.38 154.47 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -100.91 -32.11 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.7 m -70.97 -65.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -86.8 -44.86 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.64 40.39 4.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.47 177.41 5.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' CD2' ' N ' ' A' ' 31' ' ' HIS . 4.0 m-70 -122.78 142.13 51.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.878 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 99.4 m-85 -153.81 125.34 7.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' CE1' HE21 ' A' ' 22' ' ' GLN . 90.8 m-70 -70.75 157.81 37.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.97 -32.3 80.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ASP . 9.9 ttm -79.76 -53.11 7.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 m -40.59 -41.68 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.634 HD13 ' HB3' ' A' ' 32' ' ' TYR . 9.5 mp -94.56 -17.32 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' MET . 1.7 m-20 70.28 43.73 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.6 mt -107.3 148.11 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.37 110.35 19.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.038 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.26 115.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.3 p -131.25 155.95 80.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.23 2.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 75' ' ' CYS . 4.3 tt -102.68 -49.28 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -62.39 -48.72 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -40.6 -42.54 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.1 100.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.43 46.2 52.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.56 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 67.1 t90 -45.45 155.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.687 0.279 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -125.22 125.66 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 3.4 p -71.9 157.7 89.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.652 0.739 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.76 -5.86 17.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 10.5 mm-40 -96.08 -18.26 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 68.7 m -113.1 -30.05 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -57.91 146.96 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.466 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 13.4 m -157.97 167.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.2 t -56.39 152.86 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -108.01 -18.62 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -83.55 -46.07 12.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.4 p -107.5 -30.81 8.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm 67.34 50.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -135.44 111.69 9.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.6 p -81.45 127.74 33.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.91 -55.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 21.4 mp0 -94.86 87.17 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.02 -53.47 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -48.64 -58.69 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -59.74 -41.79 91.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.7 ttm -48.2 124.2 7.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.81 HD21 HG13 ' A' ' 91' ' ' VAL . 6.4 mt -87.59 111.72 21.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.403 ' CG1' ' OD1' ' A' ' 76' ' ' ASP . 89.5 t -86.65 100.38 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.5 t -48.06 125.94 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.73 25.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.8 m -129.43 -49.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.821 ' HA ' HD22 ' A' ' 44' ' ' LEU . 24.1 p -113.59 -28.01 7.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.403 ' OD1' ' CG1' ' A' ' 71' ' ' VAL . 36.4 t70 63.42 53.66 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -88.18 -59.71 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.97 113.27 2.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -146.58 120.68 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.941 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -60.8 177.73 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.0 p -89.88 -25.82 20.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.488 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 3.9 p90 -107.79 23.45 14.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 28.8 m -120.48 -17.04 8.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' PRO . 27.2 mt -77.1 160.33 29.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 5.1 pt20 -130.16 101.11 18.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.79 -178.2 16.26 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.351 -0.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.488 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -91.81 158.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.571 ' HE2' ' CD1' ' A' ' 96' ' ' TRP . 19.0 mmm -102.49 79.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 88' ' ' MET . 40.1 mmtm -32.94 -40.48 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.7 m -138.45 179.46 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.81 HG13 HD21 ' A' ' 70' ' ' LEU . 42.0 t -112.75 121.34 38.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.636 0.731 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 94' ' ' ASN . 53.5 Cg_endo -69.79 -2.51 10.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.79 ' H ' HG12 ' A' ' 91' ' ' VAL . 75.4 p 33.48 35.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 92' ' ' PRO . 12.7 m-80 -127.31 45.63 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.39 69.79 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.463 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 88' ' ' MET . 67.6 t90 -70.18 150.78 46.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -129.17 128.9 44.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.2 p -72.22 143.89 48.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.477 ' CE ' HD11 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -40.83 -61.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.419 ' N ' ' HD3' ' A' ' 99' ' ' LYS . 3.0 t-20 -36.47 -38.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.4 m -81.4 -49.41 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 103' ' ' ILE . 9.4 mtp-105 -46.17 -34.67 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.477 HD11 ' CE ' ' A' ' 99' ' ' LYS . 38.1 mm . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.889 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.835 0.35 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -92.84 167.18 12.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 35.9 t -59.4 122.04 12.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.838 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -74.35 5.0 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.35 -40.2 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 p -120.05 -21.5 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' CYS . 41.0 t0 62.54 49.82 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.7 m -128.73 117.19 19.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.8 -7.3 20.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -27.98 -90.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.536 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -91.28 126.46 36.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.536 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.6 mm? -94.55 -42.58 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ASP . 7.6 mp -65.01 -53.87 39.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LEU . 1.5 m-20 -37.73 -52.2 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.567 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 2.3 pt20 -76.94 133.4 39.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.574 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 10.1 m-85 -68.12 178.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -133.01 124.09 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.9 t -84.31 154.96 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.5 p -104.35 -32.02 9.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.0 m -69.75 -67.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.5 p -84.52 -43.14 14.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.52 35.87 6.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -102.81 165.24 11.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.889 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 25.5 m170 -116.82 149.79 39.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.838 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 86.3 m-85 -151.46 121.18 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 28.6 m170 -64.07 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.14 -23.81 62.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.5 ttp -87.95 -46.05 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.9 m -52.9 -31.02 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -100.88 1.11 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 61.53 31.41 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.8 mt -107.68 137.0 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.6 102.27 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' CE1' ' A' ' 23' ' ' PHE . 6.7 p -61.79 107.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 23.7 p -105.72 158.17 32.95 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 111.177 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 53.8 Cg_endo -69.69 -4.21 13.52 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.533 HD23 HG22 ' A' ' 74' ' ' THR . 19.2 tp -105.63 -20.21 13.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.698 ' HZ1' ' N ' ' A' ' 74' ' ' THR . 1.1 ttmm -79.21 -53.0 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LYS . 80.1 mtp180 -35.22 -52.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.72 123.87 16.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.37 60.48 4.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 23' ' ' PHE . 70.0 t90 -91.01 141.6 28.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.713 0.292 . . . . 0.0 110.908 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -125.7 109.36 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.6 p -43.85 156.59 0.3 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -10.96 29.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.58 -14.71 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.623 ' O ' HG13 ' A' ' 56' ' ' VAL . 66.6 m -115.64 -53.49 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 54' ' ' CYS . 13.5 pttp -31.9 138.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 54' ' ' CYS . 5.1 m -141.21 178.84 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.3 t -69.55 153.13 43.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -110.05 -15.11 14.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -84.75 -41.88 15.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.2 p -113.46 -27.76 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 67.51 54.83 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 1.3 pt20 -140.41 123.98 17.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.3 p -95.31 114.21 25.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.42 -57.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -80.0 47.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.98 -61.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.9 m -40.59 -56.05 2.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -62.03 -34.47 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.7 ttm -64.86 126.03 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.512 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 4.5 mp -83.16 144.61 29.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.3 t -111.5 101.93 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 42.0 t -52.79 129.82 31.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.56 24.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.698 ' N ' ' HZ1' ' A' ' 45' ' ' LYS . 27.2 m -130.58 -43.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.07 -38.31 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t70 73.32 54.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -86.4 -68.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.28 116.39 2.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -146.4 122.11 10.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 91.4 m-70 -59.25 137.69 57.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.463 HG22 HD11 ' A' ' 70' ' ' LEU . 4.7 p -45.04 -47.34 11.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 12.1 p90 -70.66 -23.83 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 39.9 m -83.46 21.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -117.65 142.51 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.453 ' CD ' ' O ' ' A' ' 85' ' ' GLN . 2.5 pp0? -124.23 106.56 30.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.8 Cg_endo -69.81 171.03 55.79 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.351 0.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 88' ' ' MET . 3.2 t -81.83 153.37 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.468 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 94.7 mtp -101.68 100.63 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -47.33 -43.21 22.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.3 p -132.34 177.75 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.571 HG13 ' HD2' ' A' ' 92' ' ' PRO . 79.3 t -108.63 136.15 19.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.0 Cg_endo -69.74 171.34 14.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.723 2.282 . . . . 0.0 112.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.1 t -122.88 -17.4 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -97.21 51.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.11 135.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' A' ' 70' ' ' LEU . 50.4 t90 -108.4 145.03 35.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -126.69 124.54 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.7 167.55 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 102' ' ' ARG . 26.7 tttt -67.57 -59.18 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -40.88 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 99' ' ' LYS . 7.3 m -95.72 -31.15 13.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 99' ' ' LYS . 6.5 ptm180 -51.22 -33.96 30.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.3 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.77 0.319 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -95.59 162.88 13.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.9 t -56.83 120.13 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -72.29 6.36 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -113.48 -53.15 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 19.0 p -102.35 -5.08 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 13' ' ' CYS . 3.5 p30 49.7 41.57 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -138.41 142.32 34.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.651 0.739 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.469 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.75 -51.6 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 32.99 -130.81 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -82.87 117.15 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.28 -29.42 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.65 -28.94 9.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -110.03 35.79 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.461 ' CG ' ' CD2' ' A' ' 33' ' ' HIS . 20.6 mt-30 -113.76 123.56 50.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.6 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 72.7 m-85 -71.33 162.83 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -136.57 115.75 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.8 t -71.35 153.79 42.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.8 p -98.18 -27.24 14.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.8 m -77.18 -65.34 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 p -87.03 -45.14 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.47 40.67 4.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -95.7 175.2 6.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.616 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 2.0 m80 -126.32 149.93 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 4.4 m-85 -154.4 148.97 26.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CD2' ' CG ' ' A' ' 22' ' ' GLN . 34.1 m80 -89.54 155.37 19.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.8 -29.01 74.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.9 ttm -86.28 -44.04 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.0 m -52.14 -35.08 47.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -110.45 1.09 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 54.69 44.41 28.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -102.21 141.3 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.78 101.83 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.73 122.54 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.8 147.87 50.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.149 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.53 3.43 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.8 tp -103.14 -32.65 9.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 46' ' ' ARG . 27.5 ttmt -83.34 -49.69 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 45' ' ' LYS . 15.5 mtp-105 -33.0 -37.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . -74.46 122.69 23.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.06 60.58 3.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.6 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 49.2 t90 -78.94 147.98 32.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -118.66 112.6 20.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.596 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 2.4 p -63.37 156.85 67.92 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.7 Cg_endo -69.79 -1.87 9.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -98.1 -17.98 18.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.8 m -118.41 -28.11 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HE2' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -53.85 150.02 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 55' ' ' LYS . 27.5 m -160.93 162.63 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 59' ' ' ASN . 41.8 t -67.13 115.55 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.16 -17.97 60.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 57' ' ' CYS . 6.6 m120 -67.76 -54.1 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.1 p -102.89 -12.02 17.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 65.36 48.43 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -141.08 136.14 31.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.478 ' CB ' HG12 ' A' ' 56' ' ' VAL . 81.7 p -83.21 6.72 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.08 -176.27 34.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 42.68 53.6 4.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 69' ' ' MET . 0.9 OUTLIER -64.43 -49.11 72.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -48.45 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' MET . 60.4 mttm -58.29 -41.0 83.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.1 ttt -33.03 132.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.713 HD11 HG22 ' A' ' 81' ' ' THR . 12.9 mt -104.02 107.46 18.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.689 HG22 ' HE2' ' A' ' 55' ' ' LYS . 67.1 t -82.89 114.14 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.51 127.0 29.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.23 26.41 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.4 m -132.01 -47.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.1 p -115.28 -32.98 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 65.04 54.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -88.88 -52.79 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.88 111.84 2.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.538 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -146.44 122.41 10.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.882 0.373 . . . . 0.0 110.93 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 46.8 m170 -66.02 167.93 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.713 HG22 HD11 ' A' ' 70' ' ' LEU . 24.4 p -80.76 -32.85 35.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.161 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -99.23 24.7 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 80' ' ' HIS . 52.8 m -124.89 -22.02 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.552 ' O ' HG13 ' A' ' 87' ' ' VAL . 24.0 mt -69.64 164.99 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 77.9 mt-30 -137.2 101.64 9.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.5 Cg_endo -69.74 174.61 39.79 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.316 0.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -90.09 160.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' LYS . 6.9 mmm -105.99 77.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -35.02 -38.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 p -123.32 173.93 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.655 HG13 ' HD2' ' A' ' 92' ' ' PRO . 99.4 t -109.14 139.16 20.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.655 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.76 176.76 6.34 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.4 m -127.11 -55.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -53.48 -54.4 37.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.16 140.62 3.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.452 ' HB2' ' CG ' ' A' ' 92' ' ' PRO . 40.5 t90 -111.68 158.5 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -153.98 131.45 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.5 p -69.09 168.91 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 47.5 tttt -73.57 -48.98 28.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -48.56 -23.06 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 10.0 m -95.85 -46.78 6.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 103' ' ' ILE . 1.4 ptm180 -47.46 -29.9 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' ARG . 41.2 mm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.811 0.338 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -99.43 176.73 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 6.5 t -69.36 132.36 46.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.596 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -86.91 6.33 32.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -113.29 -43.83 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.3 p -109.29 -27.47 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 9.3 t70 72.51 47.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.5 m -137.45 140.99 32.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.692 0.758 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLY . 54.1 Cg_endo -69.78 -51.12 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.94 -116.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.88 128.67 55.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.23 -40.31 10.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.23 -40.54 96.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -65.54 -46.1 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -78.76 147.41 33.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.553 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 90.5 m-85 -66.57 159.8 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 67.7 t80 -136.19 119.8 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.4 t -66.69 156.43 35.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -106.76 -30.82 8.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.5 m -71.39 -63.04 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -86.43 -41.43 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.63 39.11 5.07 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -97.22 176.99 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.414 ' CE1' ' CD1' ' A' ' 24' ' ' PHE . 8.1 m80 -133.95 144.3 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 60.0 m-85 -150.46 121.35 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -67.61 141.12 56.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.78 -35.4 17.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -50.34 16.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.9 m -50.21 -33.73 20.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 37' ' ' LEU . 11.2 mt -97.46 -22.15 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 73.33 42.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.0 mt -113.22 139.94 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.76 103.44 6.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.34 128.54 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.33 151.14 63.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.33 4.54 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.7 HD23 ' CG2' ' A' ' 74' ' ' THR . 14.0 tp -102.44 -45.35 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.3 ttmp? -69.62 -52.5 25.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LYS . 17.5 mtp-105 -34.56 -45.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.08 101.7 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.57 49.74 5.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.553 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 91.4 t90 -83.56 152.61 24.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.698 0.285 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -139.02 134.63 33.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 1.8 p -71.16 157.68 89.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.75 -10.06 27.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.24 -21.98 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.58 ' O ' HG13 ' A' ' 56' ' ' VAL . 88.3 m -110.73 -29.71 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.99 136.47 41.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.799 HG12 ' HB2' ' A' ' 63' ' ' SER . 5.2 m -142.98 151.89 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.1 t -57.72 114.76 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -71.68 -19.17 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 83' ' ' CYS . 8.7 m120 -67.12 -56.36 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 28.6 p -108.7 12.96 25.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm 46.95 53.2 10.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.449 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 58.0 mm-40 -148.75 149.25 31.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.799 ' HB2' HG12 ' A' ' 56' ' ' VAL . 9.3 t -97.03 -10.78 25.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.29 -170.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 40.88 50.06 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' MET . 42.5 m-20 -58.62 -57.92 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.4 m -41.29 -59.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -62.81 -40.25 96.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.402 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 3.7 ttt -42.66 132.11 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.49 HD11 HG22 ' A' ' 81' ' ' THR . 8.7 mt -105.59 111.14 23.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.4 t -88.19 114.36 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.447 ' HB3' ' N ' ' A' ' 76' ' ' ASP . 10.4 t -57.55 164.66 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -103.53 -33.05 9.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.7 ' CG2' HD23 ' A' ' 44' ' ' LEU . 18.5 m -83.24 -65.94 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.8 p -88.18 -16.47 33.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' N ' ' HB3' ' A' ' 72' ' ' CYS . 5.2 m-20 43.62 54.84 5.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.66 -75.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.62 112.3 2.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -146.6 132.13 18.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 110.943 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 22.8 m170 -70.27 153.61 42.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.49 HG22 HD11 ' A' ' 70' ' ' LEU . 19.0 p -61.27 -57.22 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -64.8 -3.68 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 59' ' ' ASN . 26.0 m -101.53 -7.24 22.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' PRO . 67.6 mt -85.75 145.28 27.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 15.5 pt20 -123.24 102.46 36.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.77 177.26 29.49 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.336 0.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.17 143.31 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.8 mmm -73.52 130.14 39.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -68.28 -32.59 72.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.9 m -146.56 172.5 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.98 129.3 27.54 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.427 ' HD2' HD21 ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.77 150.43 68.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.236 . . . . 0.0 112.341 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 94' ' ' ASN . 9.3 t -71.38 -43.2 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.455 ' N ' HG23 ' A' ' 93' ' ' THR . 13.0 t30 -170.55 155.93 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.86 48.98 5.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -101.4 139.82 36.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -132.51 127.86 36.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.25 171.34 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' ARG . 58.5 tttp -63.8 -69.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 99' ' ' LYS . 2.2 t-20 -34.12 -37.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.8 m -75.74 -48.37 22.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 99' ' ' LYS . 5.8 ptt180 -57.29 -29.66 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 102' ' ' ARG . 26.4 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.468 ' HB1' ' NE2' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.807 0.336 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -138.3 162.29 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 14' ' ' ASP . 33.9 t -50.99 121.68 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.594 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -70.4 0.72 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.07 -40.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 14' ' ' ASP . 14.8 p -121.61 20.36 11.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 13' ' ' CYS . 1.3 p30 32.89 41.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.91 143.99 49.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.653 0.739 . . . . 0.0 110.867 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -44.28 2.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.7 -142.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -73.27 130.22 39.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -90.97 -27.51 18.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.3 mt -85.5 -55.57 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -49.36 -42.31 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.15 171.62 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.585 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 42.6 m-85 -109.74 150.57 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 25' ' ' CYS . 14.8 t80 -122.42 113.72 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.429 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 48.9 t -64.54 154.59 35.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.3 p -100.42 -28.84 12.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.7 m -74.78 -62.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 p -89.26 -45.47 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.13 41.65 5.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -91.73 178.87 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.468 ' NE2' ' HB1' ' A' ' 8' ' ' ALA . 7.0 m-70 -124.09 131.32 53.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 93.3 m-85 -143.26 122.65 13.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -69.64 166.46 19.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.01 -22.7 62.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.8 mmt -94.82 -39.01 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 m -56.46 -35.94 68.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.496 HD12 ' HB3' ' A' ' 32' ' ' TYR . 13.1 mt -100.08 -0.58 38.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 60.93 40.45 15.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.7 mt -106.45 141.27 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.17 106.26 15.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.4 124.96 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.404 ' CG2' ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -140.1 147.16 49.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.537 0.684 . . . . 0.0 111.15 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 1.26 4.61 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' CD2' HG22 ' A' ' 74' ' ' THR . 9.3 tp -101.48 -33.54 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' CE ' ' HB2' ' A' ' 76' ' ' ASP . 38.0 mttp -82.24 -55.61 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LYS . 61.4 mtp180 -33.78 -55.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.0 107.69 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.12 49.9 49.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.585 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 84.6 t90 -82.11 160.73 23.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.666 0.27 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 13.3 mt-30 -138.21 138.23 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.538 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.9 p -78.18 156.32 79.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.6 Cg_endo -69.79 -3.64 12.43 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 7.0 mm-40 -96.09 -15.02 22.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.593 ' O ' HG13 ' A' ' 56' ' ' VAL . 86.9 m -121.01 -45.35 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 54' ' ' CYS . 18.2 ptmt -29.87 143.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 54' ' ' CYS . 17.0 m -144.26 175.91 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.1 t -69.34 151.46 46.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -104.68 -13.37 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -88.05 -46.7 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.7 p -103.14 -31.72 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt 67.98 44.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -138.39 112.2 8.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.9 p -73.5 129.21 37.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -177.66 -58.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -96.1 109.21 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.7 -54.63 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.8 m -47.07 -62.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -57.41 -40.59 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.509 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 12.4 ttm -55.43 115.34 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.9 mt -71.04 140.28 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.4 t -113.01 100.72 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.62 163.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -107.43 -25.63 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.484 HG22 ' CD2' ' A' ' 44' ' ' LEU . 33.1 m -86.87 -59.32 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 19.2 p -84.79 -27.47 26.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.487 ' HB2' ' CE ' ' A' ' 45' ' ' LYS . 26.5 t70 65.5 53.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -117.61 173.63 6.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.22 134.74 12.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -146.53 113.24 6.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 34.4 m170 -68.0 147.07 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.525 ' C ' HG23 ' A' ' 87' ' ' VAL . 35.4 p -62.7 -53.82 48.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -60.56 -29.97 69.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 80' ' ' HIS . 12.2 m -69.06 -24.36 64.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' PRO . 59.8 mt -75.66 144.02 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 2.6 pt20 -125.62 103.5 28.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.6 Cg_endo -69.78 -179.14 18.37 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.349 -0.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.525 HG23 ' C ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -97.84 141.93 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.494 ' O ' HG22 ' A' ' 87' ' ' VAL . 6.2 mmm -63.44 165.81 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -109.8 -41.53 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.9 m -132.69 177.34 7.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.1 t -107.34 120.45 47.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -173.83 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.629 2.22 . . . . 0.0 112.359 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 93' ' ' THR . 7.0 t -116.61 103.27 10.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 93' ' ' THR . 68.4 m-80 33.02 43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -149.93 44.41 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -110.89 155.59 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -139.18 119.4 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' CYS . 15.1 p -71.45 146.79 48.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -46.41 -31.93 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.65 -32.47 72.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 98' ' ' CYS . 9.3 m -89.04 -50.29 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 103' ' ' ILE . 19.4 ptt180 -42.99 -30.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 102' ' ' ARG . 23.0 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -96.03 175.64 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.532 ' SG ' HG23 ' A' ' 12' ' ' VAL . 1.7 t -58.96 141.04 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.67 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -94.77 5.95 50.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.582 HG21 ' HB3' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -120.69 -33.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.11 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 p -117.04 -18.14 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 5.1 t70 60.94 44.2 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.93 144.15 52.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.76 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.58 -119.22 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.489 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 17.3 m-20 -105.69 114.25 28.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.83 -42.77 57.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.91 -32.76 74.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 18' ' ' ASP . 85.7 m-20 -70.48 -44.96 66.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 15.4 pt20 -76.99 135.17 38.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.531 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 38.1 m-85 -63.18 161.34 13.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -133.88 103.68 5.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.2 t -58.14 150.81 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.9 p -100.5 -29.24 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -71.23 -64.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -84.41 -39.08 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.97 36.44 6.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -100.72 170.53 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.586 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 1.3 m80 -130.94 151.56 51.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 4.1 m-85 -153.55 133.03 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.456 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 33.1 m80 -72.58 138.05 46.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.66 -19.14 12.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 36' ' ' CYS . 4.6 ppp? -93.46 -43.4 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.582 ' HB3' HG21 ' A' ' 12' ' ' VAL . 52.7 m -56.09 -35.02 66.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD12 ' CB ' ' A' ' 32' ' ' TYR . 13.6 mt -105.86 -11.02 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 70.67 37.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -100.81 137.5 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.15 119.48 25.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.22 115.87 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -125.78 154.64 73.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.68 29.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.467 HD23 HG22 ' A' ' 74' ' ' THR . 14.5 tp -91.25 -51.23 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' ARG . 42.5 mttt -57.68 -60.99 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' LYS . 58.5 mtp85 -35.15 -41.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 73.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 81.73 36.74 18.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.56 ' CZ2' ' HA ' ' A' ' 51' ' ' CYS . 49.5 t90 -40.12 159.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.713 0.292 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -135.35 109.16 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.9 p -55.24 156.0 8.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.46 14.08 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -95.23 -19.65 19.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.559 ' O ' HG13 ' A' ' 56' ' ' VAL . 95.4 m -113.06 -26.56 8.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -53.22 138.21 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 54' ' ' CYS . 15.1 m -144.64 175.77 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 52.8 t -69.47 149.95 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -105.58 -21.66 13.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -73.53 -48.82 30.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 p -103.36 -12.14 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 1.9 mmmp? 56.86 54.96 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 61' ' ' LYS . 81.5 mm-40 -154.37 158.6 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 p -112.72 120.07 40.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.18 -117.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -47.94 108.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.22 -50.43 6.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -49.1 -44.17 41.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -96.3 38.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.475 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 1.6 ttt -118.42 105.72 11.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.507 HD12 ' CD1' ' A' ' 84' ' ' LEU . 90.8 mt -64.73 130.31 43.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.8 t -113.64 111.03 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.9 t -51.85 161.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.55 -35.25 8.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.467 HG22 HD23 ' A' ' 44' ' ' LEU . 50.1 m -75.46 -71.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.0 p -77.63 -32.13 53.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 70.77 54.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 21.0 mttm -112.06 139.47 47.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.38 137.23 25.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.506 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 81.4 m-85 -147.19 113.81 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.478 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 36.7 m80 -67.86 149.14 50.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 87' ' ' VAL . 18.3 p -65.55 -49.53 68.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -68.78 -1.87 8.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 m -99.95 -14.26 18.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD1' HD12 ' A' ' 70' ' ' LEU . 92.4 mt -89.35 141.23 28.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 48.2 tt0 -118.99 107.15 42.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.76 175.86 34.87 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.38 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -92.18 136.14 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.3 mmm -75.41 143.38 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -87.51 -36.75 17.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 62.3 m -142.38 170.58 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.3 t -95.99 118.62 65.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.46 11.11 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.7 p -91.6 41.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -128.18 -57.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.41 109.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -107.37 140.8 39.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -128.32 128.38 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.6 p -74.5 147.57 41.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.86 ' O ' HD12 ' A' ' 103' ' ' ILE . 29.3 tptt -43.99 -63.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.52 ' O ' HD13 ' A' ' 103' ' ' ILE . 5.2 m120 -38.16 -26.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' LYS . 9.9 m -94.4 -46.62 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 103' ' ' ILE . 56.4 mtp180 -40.15 -43.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 99' ' ' LYS . 4.2 mp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.618 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -129.34 178.39 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 18.0 t -63.76 144.17 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.596 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -94.07 5.33 52.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -116.29 -49.33 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -101.4 -19.51 15.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 63.99 47.05 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -143.22 149.3 47.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.49 -128.65 5.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' OD2' ' OD2' ' A' ' 21' ' ' ASP . 7.1 t0 -102.85 102.8 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.45 -23.51 66.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.73 -27.85 69.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD2' ' OD2' ' A' ' 18' ' ' ASP . 7.1 m-20 -108.68 31.25 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.525 ' CG ' ' CD2' ' A' ' 33' ' ' HIS . 7.3 mt-30 -118.32 133.27 56.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.59 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 65.5 m-85 -83.22 138.71 33.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -112.91 139.47 48.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.8 t -95.11 149.94 20.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.1 p -97.1 -22.61 16.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 m -80.6 -70.79 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 19.6 p -83.09 -46.58 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.428 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 98.69 44.83 2.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' OE1' ' HB2' ' A' ' 11' ' ' ALA . 4.6 mm-40 -100.67 172.37 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.618 ' CE1' ' HB1' ' A' ' 8' ' ' ALA . 1.1 m80 -126.11 149.9 48.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 15.2 m-85 -153.84 138.65 17.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CD2' ' CG ' ' A' ' 22' ' ' GLN . 49.9 m80 -83.14 150.6 26.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.77 -26.54 65.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.2 mmt -89.96 -37.89 14.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.333 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.7 m -58.06 -35.07 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' A' ' 32' ' ' TYR . 15.6 mt -107.81 -9.8 15.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 70.78 38.52 1.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.8 mt -101.22 138.18 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.06 106.25 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.607 HG11 ' NH2' ' A' ' 46' ' ' ARG . 95.1 t -50.81 122.3 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 p -138.91 155.04 73.2 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.575 0.702 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 3.58 2.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.307 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.3 tp -102.49 -51.3 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' ARG . 17.7 mtmt -61.53 -57.81 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.607 ' NH2' HG11 ' A' ' 41' ' ' VAL . 67.2 mtt180 -34.59 -44.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.96 85.19 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.99 37.38 1.85 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 64.8 t90 -88.23 141.22 28.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.73 0.3 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -130.83 108.67 10.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.571 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.6 p -41.05 157.15 0.2 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.5 Cg_endo -69.8 -7.08 20.17 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -96.07 -9.99 29.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.5 m -125.66 -23.76 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.645 ' NZ ' HG13 ' A' ' 71' ' ' VAL . 18.8 ptmt -51.89 152.0 3.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 55' ' ' LYS . 30.4 m -158.53 168.03 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 17.6 t -55.92 152.57 9.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 76.7 mm-40 -104.56 -14.17 15.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -87.19 -56.34 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 22.6 p -95.29 -25.29 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.37 47.99 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -136.48 126.25 25.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 p -89.15 128.5 35.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.42 120.48 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' SER . 9.2 p-10 -96.98 -61.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' ASP . 56.7 m -37.78 -62.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.0 -40.92 77.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.2 ttm -50.96 116.15 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 mt -84.84 103.92 14.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.645 HG13 ' NZ ' ' A' ' 55' ' ' LYS . 94.9 t -76.55 115.59 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.4 t -65.6 163.8 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -104.56 -38.17 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 m -73.58 -60.03 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.08 -27.2 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.84 42.67 28.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' HE3' ' A' ' 55' ' ' LYS . 8.7 mptt -85.35 -65.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.16 124.67 2.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 36.6 m-85 -146.88 125.38 12.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 30.2 m170 -63.49 170.95 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 87' ' ' VAL . 18.3 p -80.97 -28.2 35.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.48 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -103.93 25.83 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.5 m -124.0 -16.97 6.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' PRO . 23.4 mt -78.79 152.02 31.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 17.6 pt20 -123.91 101.64 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.2 Cg_endo -69.77 175.88 34.84 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.294 0.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -85.46 159.99 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 89' ' ' LYS . 7.5 mmm -102.98 70.66 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -35.57 -34.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' MET . 58.2 m -126.05 174.83 8.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 92' ' ' PRO . 86.3 t -109.75 137.53 20.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.667 0.746 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.603 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.7 174.08 9.99 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.3 m -86.22 -63.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.47 140.78 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.72 65.83 1.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -107.4 158.05 17.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -148.42 125.18 11.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -72.18 156.58 39.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 102' ' ' ARG . 13.6 tttp -52.84 -61.09 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -40.05 -23.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' LYS . 9.3 m -95.99 -33.26 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.9 ptp180 -54.33 -26.06 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 99' ' ' LYS . 2.0 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.489 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -70.01 145.23 51.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -50.98 125.93 14.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.616 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -74.2 5.35 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 t -116.33 -37.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 14' ' ' ASP . 14.4 p -124.21 19.26 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 13' ' ' CYS . 29.1 t70 33.01 42.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.95 142.1 44.19 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.684 0.755 . . . . 0.0 110.864 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.54 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.45 -117.71 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -108.38 125.38 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.625 HD23 HE21 ' A' ' 22' ' ' GLN . 39.6 mt -88.07 -49.11 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.1 mm? -64.12 -25.12 67.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.77 -36.49 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.625 HE21 HD23 ' A' ' 19' ' ' LEU . 14.1 pt20 -84.61 149.04 26.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.593 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 31.1 m-85 -75.46 157.62 33.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -130.54 105.48 7.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.0 t -51.32 146.74 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.1 p -102.07 -16.59 16.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -83.51 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.4 p -84.29 -39.56 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.27 30.23 7.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.435 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 9.0 mm-40 -95.51 159.56 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.489 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 2.2 m80 -120.97 134.66 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 68.5 m-85 -136.25 129.71 31.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -60.21 162.39 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -82.11 -21.82 60.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ttp -95.34 -44.13 7.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.4 m -52.67 -28.36 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 37' ' ' LEU . 14.9 mt -107.05 -6.02 17.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 70.57 33.55 2.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' GLY . 60.3 mt -102.63 136.73 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.22 118.56 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.29 97.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.6 p -115.3 155.38 47.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.93 2.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 44' ' ' LEU . 3.6 tt -101.84 -50.17 3.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 13.2 mtmt -62.87 -56.12 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 mtp-105 -39.97 -34.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.02 81.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.0 42.8 35.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 85.5 t90 -63.11 134.53 56.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -115.72 123.82 49.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.591 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.1 p -50.63 158.89 0.99 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.4 Cg_endo -69.79 -11.09 30.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 7.2 mm-40 -89.31 -16.52 30.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 80.6 m -114.16 -24.72 8.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.69 ' NZ ' HG13 ' A' ' 71' ' ' VAL . 8.5 tttt -68.42 140.03 55.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 11.0 m -157.42 169.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 45.3 t -55.61 126.07 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -86.28 -2.0 58.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.549 HD22 ' HD1' ' A' ' 79' ' ' TYR . 5.4 m-80 -89.2 -53.52 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.5 p -105.27 2.24 28.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 49.83 54.89 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -147.33 160.16 42.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 54.5 p -118.44 20.79 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 63' ' ' SER . . . -53.72 -106.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 69' ' ' MET . 15.9 mm-40 -45.16 114.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' MET . 1.1 p-10 -97.5 -45.52 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.9 t -59.14 -60.46 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -58.21 -38.87 77.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 5.0 ttm -41.56 103.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.684 HD21 ' HD2' ' A' ' 92' ' ' PRO . 15.7 mt -68.77 105.65 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.69 HG13 ' NZ ' ' A' ' 55' ' ' LYS . 84.1 t -88.99 108.12 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.9 t -58.13 158.76 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -102.97 -40.32 6.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.678 HG22 HD13 ' A' ' 44' ' ' LEU . 31.8 m -64.88 -65.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.59 ' HA ' HD22 ' A' ' 44' ' ' LEU . 20.4 p -86.05 -42.1 14.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 72.68 49.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 25.2 mmmt -87.04 -71.3 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 124.26 115.18 2.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.549 ' HD1' HD22 ' A' ' 59' ' ' ASN . 38.1 m-85 -146.7 132.7 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.929 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -73.11 143.65 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.7 p -50.56 -51.39 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 34.5 p90 -67.64 -16.35 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.503 ' SG ' ' CE1' ' A' ' 82' ' ' PHE . 75.1 m -95.99 18.65 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.8 mt -113.19 153.57 28.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 14.0 pt20 -129.52 104.08 17.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.639 0.733 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.73 178.77 24.22 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.318 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 88' ' ' MET . 2.8 t -85.15 155.21 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.479 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 18.8 mmm -102.28 69.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -38.76 -27.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 88' ' ' MET . 72.5 m -128.62 173.76 10.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' ' 92' ' ' PRO . 57.5 t -107.0 134.99 19.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.684 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.83 115.82 4.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 94' ' ' ASN . 76.3 p -34.07 -51.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 93' ' ' THR . 10.2 m120 -171.82 166.69 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.73 60.14 7.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 72.3 t90 -106.93 150.07 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -142.46 127.67 18.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.8 p -70.15 148.94 48.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -48.65 -52.04 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -48.09 -21.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.0 m -94.93 -47.87 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 103' ' ' ILE . 3.5 ptm180 -50.56 -31.87 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 102' ' ' ARG . 11.0 mm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.47 ' HB1' ' NE2' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.796 0.332 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -132.45 176.88 8.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 34.5 t -70.52 137.08 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.641 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -86.78 5.43 36.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.6 t -113.94 -55.71 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 p -97.38 -25.63 15.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 29.7 m-20 70.72 47.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.9 m -137.9 149.86 65.64 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.66 0.743 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.77 -51.68 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 31.13 -114.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.521 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.78 133.09 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.446 HD13 ' NE2' ' A' ' 22' ' ' GLN . 4.2 mm? -95.53 -46.3 6.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mp -72.62 -54.06 10.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -42.21 -46.16 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.446 ' NE2' HD13 ' A' ' 19' ' ' LEU . 12.6 pt20 -70.87 129.07 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.525 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 29.9 m-85 -65.84 152.45 44.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 30.1 t80 -119.23 120.59 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.8 t -71.71 157.18 38.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.7 p -102.28 -31.28 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.4 ' HB ' ' SG ' ' A' ' 54' ' ' CYS . 85.2 m -73.13 -62.46 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.0 -46.02 11.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 92.21 40.5 5.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -100.72 179.66 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.47 ' NE2' ' HB1' ' A' ' 8' ' ' ALA . 1.2 m-70 -128.95 139.65 52.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 82.0 m-85 -143.76 124.45 14.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -70.3 148.56 48.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.57 -33.18 70.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -47.4 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -53.19 -36.53 61.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 mt -95.15 -22.34 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 74.96 42.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.3 mt -110.86 149.16 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 42' ' ' THR . . . -87.36 97.78 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -46.69 111.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 40' ' ' ALA . 35.3 p -124.83 154.19 70.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 111.154 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 4.11 2.4 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -104.03 -44.93 4.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 46' ' ' ARG . 22.4 mttm -64.73 -53.54 45.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 45' ' ' LYS . 47.2 mtp85 -32.08 -55.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.01 123.07 25.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.56 54.59 32.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.525 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 67.7 t90 -95.42 164.13 12.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 8.1 mt-30 -149.84 137.5 20.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.43 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 3.5 p -76.76 156.73 82.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.6 Cg_endo -69.77 -1.47 8.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 4.2 mm-40 -97.56 -20.83 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.611 ' O ' HG13 ' A' ' 56' ' ' VAL . 96.7 m -112.97 -34.86 5.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -51.07 134.35 26.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 54' ' ' CYS . 3.5 m -138.75 166.78 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 61' ' ' LYS . 47.3 t -57.23 153.63 11.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -105.28 -21.42 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -78.37 -58.24 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.9 p -98.18 -30.19 12.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 57' ' ' CYS . 37.6 mmtt 66.88 48.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -131.84 108.65 9.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.9 p -76.86 127.45 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.11 -59.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 69' ' ' MET . 3.2 mp0 -86.12 92.29 8.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.66 -58.37 3.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -47.47 -65.67 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -47.43 -48.15 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.402 ' SD ' ' ND1' ' A' ' 80' ' ' HIS . 2.9 tpp -45.16 111.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.556 ' CD2' HG13 ' A' ' 91' ' ' VAL . 18.2 mt -79.62 117.93 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.6 t -94.4 130.5 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.2 t -70.05 163.66 25.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 2.0 m-20 -101.43 -25.42 13.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.0 m -92.07 -68.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 16.0 p -80.16 -17.77 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 t70 58.79 46.19 14.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 1.3 mmpt? -93.02 164.76 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.6 128.03 8.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 96.2 m-85 -147.34 114.94 6.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.903 0.382 . . . . 0.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 27.9 m-70 -57.79 135.23 56.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 87' ' ' VAL . 37.0 p -48.11 -40.81 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 6.7 p90 -75.04 -26.1 59.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 89.8 m -86.99 25.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.456 HD11 HD12 ' A' ' 70' ' ' LEU . 71.1 mt -108.62 151.05 26.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 44.3 tt0 -128.47 101.92 20.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 54.1 Cg_endo -69.73 -177.06 13.67 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.339 -0.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 82' ' ' PHE . 5.9 t -83.95 150.32 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.434 ' HB2' HD12 ' A' ' 84' ' ' LEU . 14.1 mmm -97.43 141.06 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.45 -42.33 9.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.4 p -135.97 175.23 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 70' ' ' LEU . 58.7 t -103.39 123.73 40.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 106.25 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 p -59.04 -31.46 68.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.415 ' CG ' ' N ' ' A' ' 95' ' ' GLY . 3.7 p-10 -64.92 -48.86 72.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' A' ' 94' ' ' ASN . . . 162.2 142.06 3.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -111.66 153.24 26.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -139.1 117.72 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.1 p -69.33 166.41 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -67.8 -38.08 82.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 100' ' ' ASN . 41.0 t-20 -59.67 -26.39 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 16.4 m -92.47 -53.38 4.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 103' ' ' ILE . 2.3 ptp180 -42.72 -29.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 102' ' ' ARG . 21.3 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.794 0.33 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -91.83 172.46 8.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 6.4 t -64.65 130.26 42.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.44 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -86.01 6.0 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.3 t -112.64 -42.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.5 -28.02 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 14.3 t0 71.29 50.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.1 m -141.45 138.74 17.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.76 -50.07 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 36.69 -124.1 0.91 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.57 135.06 37.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.333 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.45 -45.99 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.64 -38.12 89.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -49.31 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -85.93 150.49 24.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.548 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 70.2 m-85 -81.26 168.26 18.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -136.57 111.13 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.7 t -62.09 157.4 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.6 p -103.87 -37.85 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.5 m -66.44 -62.98 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.4 p -87.83 -41.95 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.51 37.55 6.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 64.8 mm-40 -93.44 165.29 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -119.61 147.17 44.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CB ' HD12 ' A' ' 37' ' ' LEU . 86.6 m-85 -156.93 127.43 6.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -75.92 151.09 37.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.16 -29.95 72.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 36' ' ' CYS . 9.2 ptm -84.37 -34.33 23.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 35' ' ' MET . 12.8 m -66.47 -38.1 86.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 32' ' ' TYR . 12.4 mt -96.97 -18.87 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t0 74.59 43.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mt -111.24 146.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.45 119.95 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.17 119.38 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.3 p -133.96 152.65 78.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.688 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.59 8.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.51 -53.93 3.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' ARG . 27.0 mttp -58.43 -53.0 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . 42.1 mtt180 -33.62 -42.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.66 117.48 7.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 41.53 50.13 4.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 49.1 t90 -70.47 127.06 31.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -105.08 126.81 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.481 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 3.6 p -58.53 158.58 14.69 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.2 Cg_endo -69.87 -3.02 11.25 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -97.84 -11.04 23.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.763 ' O ' HG13 ' A' ' 56' ' ' VAL . 87.6 m -120.57 -42.48 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' CYS . 8.2 pttm -34.4 135.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.814 HG12 ' HB3' ' A' ' 63' ' ' SER . 31.8 m -140.75 172.09 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' LYS . 49.1 t -67.27 108.43 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -66.19 -20.77 66.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.05 -56.61 7.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 25.7 p -105.78 15.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' CYS . 25.2 mmtp 39.66 47.6 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 45.3 mm-40 -146.8 162.87 37.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.814 ' HB3' HG12 ' A' ' 56' ' ' VAL . 12.5 p -129.57 130.97 46.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.74 -118.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -39.13 105.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -70.38 -40.94 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -68.59 -51.24 44.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -59.32 -45.24 91.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.403 ' SD ' ' ND1' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -49.62 146.55 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.79 HD13 ' NE1' ' A' ' 96' ' ' TRP . 8.8 mt -112.41 151.07 30.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.11 140.12 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 6.5 t -88.49 136.89 32.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -88.42 8.09 29.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.7 m -117.81 -61.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.96 -22.06 21.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 13.1 t0 68.57 52.48 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -111.63 172.54 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.43 134.71 12.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.522 ' HB2' ' CH2' ' A' ' 96' ' ' TRP . 48.5 m-85 -147.49 118.71 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.966 0.412 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.403 ' ND1' ' SD ' ' A' ' 69' ' ' MET . 27.3 m-70 -65.33 149.88 49.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.501 HG22 HD11 ' A' ' 70' ' ' LEU . 2.4 p -68.52 -19.9 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -110.28 27.27 9.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.8 m -125.39 -17.75 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' PRO . 9.6 mt -78.1 149.21 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -122.23 102.09 40.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.2 Cg_endo -69.77 176.53 32.27 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.328 0.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -88.48 164.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.479 ' HE3' ' HD1' ' A' ' 96' ' ' TRP . 2.4 mmt -100.33 93.3 5.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -46.25 -40.48 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.5 m -130.24 176.71 7.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.9 t -107.18 129.13 24.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.586 0.708 . . . . 0.0 111.208 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 150.9 68.71 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -73.48 94.34 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m120 43.44 43.66 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -150.3 61.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.79 ' NE1' HD13 ' A' ' 70' ' ' LEU . 54.7 t90 -110.12 150.26 28.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -151.43 121.77 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.08 171.64 7.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.789 ' O ' HD12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.85 -56.82 5.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.95 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.487 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 2.5 t-20 -41.41 -25.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 99' ' ' LYS . 22.1 m -96.13 -38.87 9.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 103' ' ' ILE . 5.8 ptt180 -49.26 -30.0 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 99' ' ' LYS . 3.5 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.743 0.306 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -110.31 175.51 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 14.0 t -50.63 150.19 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.73 -12.36 23.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -95.71 -56.39 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.41 -31.47 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.459 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.7 t70 74.95 47.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -139.36 151.35 66.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.81 -51.52 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 32.88 -124.62 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.442 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.14 130.37 37.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.0 -38.87 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.69 -53.56 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -50.78 -45.9 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.5 HE21 ' CD2' ' A' ' 33' ' ' HIS . 3.1 pt20 -69.46 156.64 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.601 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 18.7 m-85 -93.02 169.29 10.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -135.65 111.06 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.56 156.56 29.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -100.78 -32.4 10.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.9 m -72.29 -64.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.6 p -86.45 -43.63 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.67 40.22 6.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -93.43 171.54 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 8' ' ' ALA . 18.4 m170 -112.74 139.13 48.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.609 ' HB3' HD12 ' A' ' 37' ' ' LEU . 89.8 m-85 -145.46 121.17 10.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.5 ' CD2' HE21 ' A' ' 22' ' ' GLN . 41.2 m80 -76.71 152.44 35.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.21 -27.1 64.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.7 mmt -87.93 -45.52 10.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.4 m -51.12 -36.45 40.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.609 HD12 ' HB3' ' A' ' 32' ' ' TYR . 12.6 mt -104.03 -0.06 29.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 56.38 41.53 28.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 40' ' ' ALA . 78.0 mt -103.39 151.68 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' N ' HG22 ' A' ' 39' ' ' ILE . . . -98.04 100.8 12.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.8 t -41.33 131.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 45' ' ' LYS . 1.6 t -140.99 146.23 42.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.76 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 tp -103.27 -48.77 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.571 ' H ' HG23 ' A' ' 42' ' ' THR . 54.3 mttt -64.23 -49.92 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 12.9 mtp-105 -32.81 -42.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.74 99.01 12.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.16 50.89 4.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 77.9 t90 -86.3 139.7 30.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.303 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -122.89 135.58 54.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 2.5 p -79.15 157.37 75.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 54.4 Cg_endo -69.75 -3.91 12.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.416 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 15.6 mm-40 -97.44 -16.71 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.673 ' O ' HG13 ' A' ' 56' ' ' VAL . 98.4 m -119.29 -51.27 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.1 pttm -29.51 142.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' ' 63' ' ' SER . 28.4 m -145.15 176.59 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.45 118.93 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -84.41 11.05 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -106.37 -33.23 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 22.8 p -131.71 -1.08 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 52.76 54.14 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.437 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 25.3 mt-30 -145.34 129.93 17.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.831 ' HB2' HG12 ' A' ' 56' ' ' VAL . 43.8 t -117.69 121.96 42.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.91 -64.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.35 80.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -57.78 -57.11 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 p -45.29 -61.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -56.66 -39.06 73.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.6 ttm -58.77 132.49 54.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.852 HD12 HD11 ' A' ' 84' ' ' LEU . 97.5 mt -100.83 119.0 38.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.7 t -92.74 106.5 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.0 t -67.26 159.14 29.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 24.4 t0 -101.05 -41.8 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -62.97 -60.89 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 76' ' ' ASP . 18.3 p -89.66 -45.54 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.413 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 33.8 t0 72.06 54.97 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -103.36 -67.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.0 122.27 2.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -146.83 118.49 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -56.19 142.08 38.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.405 ' O ' HG13 ' A' ' 87' ' ' VAL . 28.3 p -49.05 -50.05 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -67.55 -25.42 65.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 54.9 m -83.78 23.63 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.852 HD11 HD12 ' A' ' 70' ' ' LEU . 97.0 mt -117.71 137.08 52.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.455 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 17.2 mt-30 -122.1 105.24 37.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.68 173.83 42.72 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.732 -1.778 . . . . 0.0 112.326 -0.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 81' ' ' THR . 6.2 t -84.42 148.93 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.406 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 45.6 mmm -86.92 92.06 8.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 0.1 OUTLIER -45.47 -38.54 6.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.2 m -124.62 176.23 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.619 HG13 ' HD2' ' A' ' 92' ' ' PRO . 98.6 t -110.25 137.54 20.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.741 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.619 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.7 Cg_endo -69.76 152.18 69.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.3 p -125.64 29.93 5.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 95' ' ' GLY . 53.4 t30 -173.39 108.43 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 94' ' ' ASN . . . 32.31 93.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.59 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 30.4 t90 -81.35 158.57 24.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 13.6 mmtm -131.85 110.26 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.71 147.52 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.863 ' O ' HD12 ' A' ' 103' ' ' ILE . 2.5 ttmm -40.9 -65.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.507 ' O ' HD13 ' A' ' 103' ' ' ILE . 25.3 t-20 -35.93 -29.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' A' ' 99' ' ' LYS . 33.7 m -94.97 -44.82 7.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -40.82 -38.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 99' ' ' LYS . 4.2 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.773 0.321 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -104.61 177.46 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.7 t -67.56 140.01 56.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.698 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -92.41 6.08 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.61 -42.17 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -109.97 -25.29 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 31.5 m-20 68.25 49.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 m -139.91 145.73 43.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.362 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.3 -112.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.64 135.37 50.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD13 ' NE2' ' A' ' 22' ' ' GLN . 4.3 mm? -86.24 -44.68 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -68.06 -52.88 30.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -45.29 -41.79 9.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.554 ' NE2' HD13 ' A' ' 19' ' ' LEU . 14.3 pt20 -84.06 143.22 29.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 53.3 m-85 -75.88 169.86 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -136.29 124.56 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 t -76.83 155.24 33.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 p -101.44 -32.15 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.2 m -72.02 -66.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.8 p -83.42 -41.77 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.73 42.53 5.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.633 ' OE1' ' HB2' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -100.12 177.91 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.942 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 12.4 m-70 -123.9 148.47 46.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.698 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 76.8 m-85 -156.57 122.53 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.444 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 40.0 m80 -68.5 168.18 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.21 -26.09 62.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 36' ' ' CYS . 11.9 ptm -88.24 -35.22 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 35' ' ' MET . 1.8 m -60.87 -34.07 74.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.584 HD12 ' HB3' ' A' ' 32' ' ' TYR . 15.1 mt -111.03 -2.19 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 61.62 42.9 10.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -101.32 143.04 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.14 109.78 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.4 t -66.13 106.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.5 p -124.24 152.62 67.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -3.39 11.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.686 2.257 . . . . 0.0 112.396 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.761 HD23 HG22 ' A' ' 74' ' ' THR . 7.1 tp -105.44 -39.51 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 46' ' ' ARG . 35.0 ttmt -65.43 -49.82 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 45' ' ' LYS . 70.8 mtp180 -33.68 -46.56 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.89 132.59 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.88 39.24 89.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.463 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 90.5 t90 -90.25 162.86 15.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.733 0.301 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -158.41 137.46 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 4.2 p -68.69 157.0 89.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.4 Cg_endo -69.8 -1.71 8.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -98.0 -21.94 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 99.7 m -112.53 -33.65 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' C ' HG13 ' A' ' 56' ' ' VAL . 17.4 ttpp -56.37 146.66 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 19.2 m -157.01 169.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.4 t -56.57 153.28 10.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -108.45 -16.55 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -83.61 -46.08 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.5 p -109.79 -28.42 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp 66.27 52.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -135.68 108.68 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.412 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 29.5 p -76.5 166.43 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.31 -84.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.52 83.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -73.65 -53.31 10.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -40.97 -65.88 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -55.24 -42.58 73.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.465 ' SD ' ' CE1' ' A' ' 80' ' ' HIS . 1.3 tpp -53.03 136.19 35.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 79' ' ' TYR . 3.1 mt -94.8 150.78 19.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.8 t -131.07 98.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.8 t -47.83 164.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -102.89 -32.66 9.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.761 HG22 HD23 ' A' ' 44' ' ' LEU . 27.6 m -84.3 -70.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.79 -20.0 50.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 56.32 53.55 8.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -91.95 -174.36 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.84 117.23 1.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 34.2 m-85 -145.47 118.26 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.899 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 65.7 m-70 -61.33 136.3 58.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.566 HG21 HG22 ' A' ' 91' ' ' VAL . 21.4 p -48.29 -35.27 11.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 14.8 p90 -81.66 -20.52 39.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.2 m -89.3 25.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.53 HD11 ' CD1' ' A' ' 70' ' ' LEU . 80.5 mt -112.85 141.1 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -121.3 104.76 40.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.936 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.8 Cg_endo -69.78 173.1 46.02 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.318 0.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 82' ' ' PHE . 2.9 t -78.2 153.65 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.446 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 4.7 mtt -86.75 108.47 18.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -31.51 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 p -137.56 174.17 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.566 HG22 HG21 ' A' ' 81' ' ' THR . 95.2 t -108.16 130.61 22.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.579 ' HG3' ' CD1' ' A' ' 96' ' ' TRP . 53.3 Cg_endo -69.77 168.56 21.22 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.1 m -134.6 -35.68 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 95' ' ' GLY . 0.9 OUTLIER -86.45 87.41 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 94' ' ' ASN . . . 31.99 91.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.579 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 58.2 t90 -67.07 145.29 55.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -122.94 118.16 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.5 p -72.46 167.6 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 101' ' ' CYS . 18.8 tptm -61.93 -62.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.403 ' O ' HD13 ' A' ' 103' ' ' ILE . 16.9 t-20 -38.87 -25.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 99' ' ' LYS . 13.5 m -93.83 -37.37 11.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 99' ' ' LYS . 2.0 ptm180 -48.79 -24.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.419 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 1.8 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.597 ' HB1' ' CG ' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.816 0.341 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.04 153.76 18.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 17.8 t -60.55 123.67 18.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.919 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -72.97 5.8 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.481 HG23 ' HD1' ' A' ' 32' ' ' TYR . 60.3 t -115.44 -49.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 10' ' ' CYS . 17.4 p -107.24 -21.63 12.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 9.1 m-20 64.76 53.08 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -143.2 139.09 16.25 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.721 0.772 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.79 -52.66 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.06 -109.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.9 m-20 -102.41 129.74 48.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 19' ' ' LEU . 4.0 mm? -95.71 -30.46 13.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.93 -31.17 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.91 37.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 31.9 mt-30 -117.4 116.43 27.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.589 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 53.1 m-85 -66.0 151.0 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -125.06 114.85 19.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.0 t -76.49 156.22 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.3 p -98.41 -32.66 11.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -72.83 -67.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 20.4 p -84.63 -46.34 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 90.45 43.77 4.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -98.66 178.75 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.597 ' CG ' ' HB1' ' A' ' 8' ' ' ALA . 5.8 m80 -122.63 141.75 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.919 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 94.7 m-85 -146.9 144.76 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -81.28 161.6 23.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -76.38 -28.7 59.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.545 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.7 ttt -88.2 -44.94 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.4 m -50.07 -39.36 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.5 HD12 ' HB3' ' A' ' 32' ' ' TYR . 28.3 mt -101.52 8.98 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 52.77 36.9 22.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' GLY . 78.6 mt -101.08 146.48 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 42' ' ' THR . . . -97.76 98.03 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.9 t -48.01 123.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 40' ' ' ALA . 31.0 p -139.74 155.16 71.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 111.122 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 9.74 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.341 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -102.58 -47.4 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 46' ' ' ARG . 4.9 mtmp? -69.98 -52.48 23.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 45' ' ' LYS . 49.8 mtt-85 -30.47 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . -76.7 97.75 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.76 53.06 48.4 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 60.8 t90 -71.62 159.29 34.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.719 0.295 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.456 ' O ' ' CE2' ' A' ' 49' ' ' TRP . 11.6 mt-30 -128.0 140.97 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.587 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.6 p -87.71 157.37 52.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.47 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.6 Cg_endo -69.75 -2.58 10.41 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 23.9 mt-10 -97.53 -18.31 19.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.694 ' O ' HG13 ' A' ' 56' ' ' VAL . 71.4 m -118.73 -43.7 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 54' ' ' CYS . 8.9 ptmm? -30.31 142.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 54' ' ' CYS . 26.0 m -146.81 175.35 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.064 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 61' ' ' LYS . 37.2 t -72.36 149.21 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 23.5 mm-40 -109.33 -11.57 14.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -85.75 -32.96 21.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.57 -21.82 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 57' ' ' CYS . 24.1 mmtp 63.15 54.81 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.27 128.61 14.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.461 ' HB3' HG12 ' A' ' 56' ' ' VAL . 87.3 p -98.59 124.85 43.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.19 -71.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -81.48 104.01 11.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -82.05 -50.05 9.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.3 p -53.62 -44.65 69.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -83.27 40.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 tpp -133.11 139.59 47.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.615 HD21 ' HD2' ' A' ' 92' ' ' PRO . 75.1 mt -108.19 138.75 43.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 81.2 t -110.55 118.98 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 40.2 t -69.36 127.98 34.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.97 24.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 m -132.17 -53.21 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.453 ' HA ' HD12 ' A' ' 44' ' ' LEU . 28.7 p -105.61 -26.84 11.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 72.93 44.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -103.86 102.55 12.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.8 135.46 42.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 28.9 m-85 -146.97 113.92 6.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.936 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 39.6 m-70 -57.74 136.83 56.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.408 ' O ' HG13 ' A' ' 87' ' ' VAL . 10.6 p -47.36 -39.56 15.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 10.7 p90 -76.23 -24.43 54.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.0 m -85.13 25.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 86' ' ' PRO . 97.9 mt -122.27 141.33 51.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -119.74 107.95 39.77 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.74 172.9 46.77 Favored 'Cis proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.374 -0.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 82' ' ' PHE . 2.8 t -80.37 148.42 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.7 mmt -88.49 147.97 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -101.76 -42.5 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.7 p -131.83 171.01 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.63 124.08 54.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.709 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.615 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.2 Cg_endo -69.8 163.25 38.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.6 m -121.35 -46.75 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -49.09 -52.11 27.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 164.69 126.22 0.81 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.447 ' NE1' HD13 ' A' ' 70' ' ' LEU . 71.6 t90 -103.08 147.12 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.57 130.26 19.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 2.4 p -76.51 143.48 40.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 100' ' ' ASN . 17.6 ttmm -41.6 -60.43 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 99' ' ' LYS . 4.4 t-20 -34.99 -36.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' LYS . 62.3 m -89.23 -42.75 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 103' ' ' ILE . 15.9 mtp180 -49.41 -37.12 24.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 102' ' ' ARG . 29.1 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -147.83 127.77 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -70.57 -48.12 56.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.9 51.48 45.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -118.96 41.4 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.379 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -101.66 120.18 39.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.483 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 179.45 153.53 11.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' CD2' ' A' ' 31' ' ' HIS . . . 71.68 26.81 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -58.18 170.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 3.7 t -55.04 129.24 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.762 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -84.97 6.21 26.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG23 ' HD2' ' A' ' 32' ' ' TYR . 91.5 t -111.75 -48.17 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' ASP . 21.2 p -103.7 -27.27 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 21.6 t0 73.9 47.23 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.4 t -140.82 145.97 42.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.641 0.734 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.82 -41.77 3.91 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.68 2.254 . . . . 0.0 112.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 33.6 -129.75 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.92 131.51 42.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.86 -50.76 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.44 -43.18 99.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.26 -49.03 73.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' OE1' ' CB ' ' A' ' 31' ' ' HIS . 25.4 pt20 -82.82 148.65 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 21.4 m-85 -78.99 164.54 24.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -131.28 116.18 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.1 t -66.23 157.08 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.0 p -103.42 -34.47 8.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.9 m -68.41 -65.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.7 p -83.72 -42.32 16.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.96 36.74 5.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -102.02 169.89 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 8' ' ' ALA . 5.1 m-70 -125.77 151.18 47.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.762 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 74.9 m-85 -151.85 121.42 6.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -62.71 152.62 35.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.29 -29.64 73.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.0 mmt -82.93 -40.26 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.89 -39.42 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.594 HD12 ' CB ' ' A' ' 32' ' ' TYR . 11.6 mt -102.98 1.24 33.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 56.76 39.79 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -100.38 147.2 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.96 109.34 20.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.75 120.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.2 p -131.42 155.2 81.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.01 15.18 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.527 HD23 HG22 ' A' ' 74' ' ' THR . 19.1 tp -105.16 -43.36 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -57.96 -49.04 78.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -40.31 -56.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.29 117.83 17.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.26 37.81 35.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' A' ' 23' ' ' PHE . 24.8 t90 -81.35 142.54 32.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.709 0.29 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -136.13 125.04 24.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 53' ' ' GLU . 2.4 p -60.57 155.28 50.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -1.5 8.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 5.0 mm-40 -96.86 -24.3 15.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.585 ' O ' HG13 ' A' ' 56' ' ' VAL . 85.3 m -108.17 -35.43 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -47.84 132.04 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 54' ' ' CYS . 17.0 m -130.99 173.38 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 61' ' ' LYS . 51.6 t -74.92 112.55 11.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -72.12 1.16 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.598 HD22 ' HD1' ' A' ' 79' ' ' TYR . 3.4 m-80 -96.19 -49.62 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.7 p -112.79 -21.66 11.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 62.96 54.86 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -139.69 109.71 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 p -83.63 119.87 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.16 -56.32 0.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -78.68 49.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -49.56 -47.7 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -49.08 -54.93 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -83.5 41.49 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 ttt -124.18 112.4 17.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.823 HD12 HD11 ' A' ' 84' ' ' LEU . 94.2 mt -79.76 136.55 36.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.39 110.06 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.9 t -50.61 161.95 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.85 -3.98 25.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.527 HG22 HD23 ' A' ' 44' ' ' LEU . 92.3 m -112.5 -71.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.169 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.42 -32.6 72.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 72.13 46.83 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 7.3 mmmm -108.3 141.08 40.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 79' ' ' TYR . . . -87.05 132.88 11.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.598 ' HD1' HD22 ' A' ' 59' ' ' ASN . 34.3 m-85 -146.3 121.99 10.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.923 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 28.6 m170 -68.08 135.54 52.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.5 p -47.02 -44.48 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 9.2 p90 -72.17 -20.9 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.1 m -95.71 26.06 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.823 HD11 HD12 ' A' ' 70' ' ' LEU . 77.4 mt -112.73 147.23 37.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 46.3 tp60 -123.73 104.01 33.87 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' LEU . 54.1 Cg_endo -69.74 179.73 21.43 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.385 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 t -83.37 149.75 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' LYS . 31.7 mmm -97.9 78.42 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' MET . 34.3 mmtm -35.2 -38.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.1 m -132.98 175.97 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.458 HG13 ' HD2' ' A' ' 92' ' ' PRO . 71.8 t -106.52 133.69 20.14 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.157 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.458 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.0 Cg_endo -69.72 160.02 51.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.8 m -65.83 -64.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -157.96 152.54 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.4 72.72 1.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.55 ' CE2' HD13 ' A' ' 70' ' ' LEU . 67.8 t90 -111.71 150.4 30.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -136.29 150.2 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.8 p -96.52 174.33 6.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HA ' ' CG ' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -73.33 -36.34 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.422 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 75.5 m-20 -66.61 -21.07 66.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' A' ' 103' ' ' ILE . 2.2 m -94.74 -56.32 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -45.63 -21.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 11.5 mm -38.55 113.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 36.2 m -72.48 168.25 18.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.63 92.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -133.78 129.3 36.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.09 169.79 12.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 88.13 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.7 m -65.34 111.59 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.1 p -109.84 175.3 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.473 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -114.46 152.25 31.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.383 . . . . 0.0 110.873 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.1 p -58.54 154.68 13.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.38 54.56 3.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -106.61 -52.06 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 53.01 46.23 27.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.26 140.35 5.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . -108.49 102.32 11.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.341 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -103.04 172.28 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.506 ' SG ' HG23 ' A' ' 12' ' ' VAL . 1.8 t -49.97 137.06 17.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.602 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -89.48 5.66 44.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -120.6 -41.15 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.129 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.69 -19.12 13.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 21.0 m-20 61.37 42.85 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.55 143.97 50.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.849 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.1 Cg_endo -69.84 -48.5 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.6 -133.13 0.64 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.86 127.01 38.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.84 -40.34 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.46 -33.13 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.86 -51.09 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.474 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 4.6 pt20 -75.12 136.25 41.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.51 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 66.7 m-85 -73.89 158.19 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 24' ' ' PHE . 8.0 t80 -120.9 98.39 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.4 t -46.28 154.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -101.92 -28.69 12.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.3 m -73.98 -65.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.75 -39.73 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.79 41.46 5.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -102.55 170.44 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 63.1 m170 -116.64 139.65 50.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.602 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 78.5 m-85 -145.66 127.94 15.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.474 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 28.6 m170 -70.15 157.2 38.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.17 -20.26 76.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.8 -47.36 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.581 ' C ' HD22 ' A' ' 37' ' ' LEU . 73.2 m -56.22 -17.97 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.581 HD22 ' C ' ' A' ' 36' ' ' CYS . 0.8 OUTLIER -116.67 -3.02 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 62.56 34.69 14.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -100.71 141.07 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 42' ' ' THR . . . -92.39 101.99 14.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -44.96 103.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 40' ' ' ALA . 32.5 p -123.06 153.83 64.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 2.54 3.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.502 ' CD2' HG22 ' A' ' 74' ' ' THR . 12.7 tp -104.95 -38.92 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' ARG . 28.7 mttt -72.86 -49.54 29.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.0 mtt180 -33.99 -42.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.81 107.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.86 56.12 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 64.1 t90 -57.99 142.75 45.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.719 0.295 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -110.27 130.88 55.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.8 p -76.49 158.11 81.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.601 0.715 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.3 Cg_endo -69.75 -9.65 26.64 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -91.29 -17.79 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.1 m -117.04 -17.33 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 139.68 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG12 ' HB2' ' A' ' 63' ' ' SER . 7.6 m -152.8 164.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.536 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.3 t -56.86 152.93 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -109.31 -16.2 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -81.86 -45.64 15.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.6 p -108.23 -26.35 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt 65.84 53.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -152.39 106.65 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.436 ' HB2' HG12 ' A' ' 56' ' ' VAL . 1.5 t -82.56 131.39 35.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.79 -47.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -96.78 87.66 4.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 67' ' ' SER . 2.7 p-10 -65.5 -50.72 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 66' ' ' ASP . 3.8 t -49.29 -62.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.47 -37.35 75.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.1 ttm -55.92 130.01 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 84' ' ' LEU . 15.5 mt -101.86 121.13 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.8 t -97.18 108.81 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.1 t -51.11 163.9 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.02 -18.08 13.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.502 HG22 ' CD2' ' A' ' 44' ' ' LEU . 69.0 m -94.66 -63.48 1.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 20.2 p -85.38 -22.34 28.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t70 66.53 46.32 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 16.5 mmtt -96.44 -174.67 3.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.24 124.3 4.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 21.7 m-85 -146.92 118.1 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 25.8 m80 -65.32 145.83 55.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.7 p -49.11 -51.69 30.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -67.2 -20.11 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 34.0 m -90.38 22.62 3.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.457 HD11 HD12 ' A' ' 70' ' ' LEU . 78.8 mt -111.74 146.21 37.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -125.52 102.56 29.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.9 Cg_endo -69.8 178.44 25.55 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.332 0.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.9 t -83.84 150.69 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.0 mmm -95.7 144.91 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' N ' ' HE3' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -90.7 -42.43 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.4 p -136.29 178.01 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG13 ' CD2' ' A' ' 70' ' ' LEU . 60.6 t -103.72 114.72 64.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.741 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 139.7 40.57 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.258 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.0 p -101.64 20.12 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -117.21 48.94 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.91 99.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -76.2 158.43 31.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 102' ' ' ARG . 5.2 ttpp -140.51 123.19 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.91 144.63 30.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 100' ' ' ASN . 1.1 tmtp? -38.66 -63.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 99' ' ' LYS . 9.1 t-20 -36.17 -36.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 33.2 m -85.42 -49.62 7.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 103' ' ' ILE . 37.9 mtt180 -42.78 -34.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 102' ' ' ARG . 28.6 mm -33.68 135.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 6.9 t -40.49 118.7 0.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.3 tp -49.06 139.28 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.8 m 60.04 44.05 13.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -85.76 147.17 21.83 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 93.0 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.264 . . . . 0.0 112.352 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.8 m -79.82 127.9 32.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.6 p -97.39 -57.54 2.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.457 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -112.54 118.13 34.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -93.82 175.46 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.64 165.85 35.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t 43.94 43.49 5.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -48.03 142.06 5.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.9 -150.47 25.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.417 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.62 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . -103.54 92.6 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -104.32 158.12 16.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 14' ' ' ASP . 42.2 t -57.8 123.62 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.739 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -74.58 5.61 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -115.09 -38.3 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.63 -19.01 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.0 t70 61.25 53.59 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.2 m -129.9 123.13 20.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.699 0.761 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.73 -8.69 24.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -31.66 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.56 108.96 17.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.7 mt -95.67 -44.92 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.06 -44.84 29.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -48.62 -41.4 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -72.68 160.81 31.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.458 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 5.9 m-85 -96.86 173.62 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -134.97 112.68 10.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.9 t -61.15 154.05 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -102.53 -22.07 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.4 m -81.75 -64.22 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.86 -42.87 12.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.84 36.94 5.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -97.53 176.05 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.62 ' CE1' ' HB1' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -132.31 153.48 50.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.739 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 53.1 m-85 -157.45 140.93 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -76.3 145.64 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -63.84 -18.39 61.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.459 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.14 -45.5 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.0 m -55.47 -32.03 62.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 32' ' ' TYR . 14.1 mt -101.82 -4.6 26.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 66.14 37.69 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' GLY . 38.5 mt -100.92 136.01 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 42' ' ' THR . . . -86.23 103.87 15.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -49.44 109.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 40' ' ' ALA . 41.2 p -126.84 154.1 76.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 0.0 111.162 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 4.61 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 75' ' ' CYS . 2.5 tt -102.53 -48.45 4.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' ARG . 47.7 mttt -65.8 -55.29 17.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 74.8 mtp180 -34.76 -50.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.63 105.27 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.47 52.58 12.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.458 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 55.5 t90 -79.81 162.04 25.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.694 0.283 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -149.78 120.27 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.2 p -56.0 156.77 9.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.7 Cg_endo -69.77 -11.8 31.56 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.85 -13.67 41.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 99.0 m -122.77 -20.54 5.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 52' ' ' PRO . 15.9 ptmt -58.64 151.32 21.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 63' ' ' SER . 16.7 m -156.99 168.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.551 ' SG ' ' ND2' ' A' ' 59' ' ' ASN . 46.2 t -66.91 113.18 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -69.17 -19.55 64.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.551 ' ND2' ' SG ' ' A' ' 57' ' ' CYS . 6.1 m-80 -69.16 -60.07 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.6 p -99.25 2.28 45.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' CYS . 43.2 mmtm 54.09 36.34 24.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 27.3 mt-30 -141.66 156.66 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.533 ' HB2' HG12 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -120.82 -175.61 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.31 -79.24 0.37 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -61.39 89.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -72.93 -58.28 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 p -45.48 -47.49 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -71.45 -39.28 71.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.5 ttm -55.35 117.38 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 96' ' ' TRP . 9.5 mt -91.09 118.18 30.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.94 110.05 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.4 t -55.94 163.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.4 -16.35 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.7 m -96.41 -62.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.426 ' HA ' HD22 ' A' ' 44' ' ' LEU . 28.1 p -82.98 -24.81 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.9 t70 63.53 52.12 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -113.86 149.95 34.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -91.41 127.22 8.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.449 ' HD1' HD22 ' A' ' 59' ' ' ASN . 35.4 m-85 -142.98 116.22 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 23.9 m170 -66.75 134.37 52.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.498 HG22 HD11 ' A' ' 70' ' ' LEU . 22.9 p -44.07 -51.21 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.458 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 24.9 p90 -66.27 -21.73 66.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.458 ' SG ' ' CE1' ' A' ' 82' ' ' PHE . 95.5 m -92.23 20.52 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.495 HD11 ' HZ2' ' A' ' 96' ' ' TRP . 20.1 mt -108.66 146.49 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 14.9 pt20 -126.35 102.96 26.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.8 Cg_endo -69.76 177.67 28.06 Favored 'Cis proline' 0 C--N 1.342 0.235 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.365 -0.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 t -84.43 149.76 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.455 ' HE3' ' HD3' ' A' ' 92' ' ' PRO . 35.7 mmm -90.55 120.6 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -67.58 -36.41 80.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.8 m -156.85 173.88 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 93' ' ' THR . 17.0 t -94.45 128.71 39.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 94' ' ' ASN . 54.0 Cg_endo -69.78 2.35 3.62 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.641 ' H ' HG12 ' A' ' 91' ' ' VAL . 8.4 m 30.26 36.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 92' ' ' PRO . 63.8 t30 -173.32 105.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 46.38 97.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.613 ' CD1' HD22 ' A' ' 70' ' ' LEU . 81.2 t90 -110.59 115.52 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -103.47 131.43 50.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -83.49 169.33 15.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.526 ' O ' HD12 ' A' ' 103' ' ' ILE . 29.0 ttpt -64.37 -64.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -38.45 -26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 99' ' ' LYS . 28.7 m -95.31 -37.21 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -48.92 -33.39 10.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 99' ' ' LYS . 2.4 mp -41.94 127.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.32 85.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 106' ' ' SER . 1.7 tp -112.89 138.38 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.459 ' N ' HG13 ' A' ' 105' ' ' ILE . 48.4 t -168.78 151.64 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -141.0 -139.73 3.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -16.72 37.66 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.7 m -104.12 94.65 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m -105.62 105.3 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.483 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -44.4 -60.49 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -105.68 -51.94 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.73 76.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -97.0 167.08 11.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.913 0.387 . . . . 0.0 110.823 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -142.17 125.55 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.51 166.27 26.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.617 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . -69.65 97.91 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -105.29 166.74 10.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' ASP . 13.2 t -50.51 122.16 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.881 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -73.93 4.22 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 t -115.52 -32.2 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 14' ' ' ASP . 10.4 p -130.57 18.69 5.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 13' ' ' CYS . 43.8 m-20 32.24 44.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.28 144.1 51.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.7 0.762 . . . . 0.0 110.843 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' GLY . 54.1 Cg_endo -69.78 -38.11 8.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.634 2.222 . . . . 0.0 112.376 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 36.9 -123.85 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -96.06 138.38 33.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.11 -20.94 18.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 mt -91.35 -34.73 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.63 -44.8 73.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -70.52 158.87 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.59 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 30.2 m-85 -101.19 152.41 20.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -111.65 117.22 32.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.4 t -69.18 150.97 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -97.23 -24.74 15.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.3 m -79.11 -70.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.161 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.24 -45.48 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.84 50.43 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -109.73 165.53 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.617 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 23.4 m170 -112.81 134.98 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.881 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 86.0 m-85 -136.28 124.05 22.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -64.88 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.02 -19.01 60.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.9 mmm -93.31 -51.87 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.2 m -49.59 -28.23 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD13 HD11 ' A' ' 39' ' ' ILE . 12.1 mt -98.83 -22.53 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 72.82 40.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.446 HD11 HD13 ' A' ' 37' ' ' LEU . 49.1 mt -104.71 143.01 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.55 106.45 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.2 t -58.67 101.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.5 p -116.6 153.6 49.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.608 0.718 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 3.09 2.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -97.39 -37.6 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 28.5 mttt -76.9 -51.26 11.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 14.5 mtp-105 -36.61 -38.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.54 88.28 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.99 47.4 2.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 23' ' ' PHE . 75.4 t90 -85.44 150.88 24.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -133.18 128.55 36.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.22 156.7 87.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.86 33.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -89.69 -7.4 54.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.646 ' O ' HG13 ' A' ' 56' ' ' VAL . 73.2 m -125.82 -53.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 54' ' ' CYS . 12.3 pttm -29.96 143.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 54' ' ' CYS . 16.1 m -146.7 176.17 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.2 t -63.91 154.08 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.46 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 98.5 mm-40 -106.82 -19.83 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -84.18 -48.1 10.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.3 p -104.71 -30.99 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt 65.32 47.5 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -132.46 109.02 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.9 p -76.63 118.72 19.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.1 -62.53 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -81.14 98.2 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.93 -52.58 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.3 p -53.62 -46.18 70.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -87.79 46.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.6 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 1.4 tpp -133.19 99.84 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.567 ' CD1' HG22 ' A' ' 81' ' ' THR . 23.2 mt -68.42 98.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.6 t -77.45 103.42 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 6.2 t -48.21 159.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -99.78 -41.34 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.5 m -68.05 -69.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 18.2 p -77.01 -36.83 56.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 60.28 54.59 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -97.23 -71.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' ' CD1' ' A' ' 79' ' ' TYR . . . 140.06 121.05 1.8 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 14.8 m-85 -146.79 129.05 15.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.935 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.6 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 34.6 m80 -74.64 137.25 42.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 70' ' ' LEU . 23.2 p -53.89 -40.73 66.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' HA ' ' CG2' ' A' ' 87' ' ' VAL . 45.8 p90 -80.07 6.48 11.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -110.37 -1.38 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' PRO . 43.2 mt -91.97 155.07 18.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 3.0 tp-100 -126.46 103.8 25.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.9 Cg_endo -69.78 -177.69 15.13 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.368 -0.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -97.18 144.22 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.8 mmt -80.49 90.8 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -38.95 -39.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.8 m -132.69 174.32 10.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.2 t -104.2 127.77 28.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.668 0.747 . . . . 0.0 111.092 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.525 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.77 -174.62 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.3 m -93.61 -53.78 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -169.14 146.14 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.39 52.3 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -111.57 151.44 28.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HE3' ' C ' ' A' ' 101' ' ' CYS . 14.7 tttp -143.57 125.32 15.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.4 p -72.12 155.65 40.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 101' ' ' CYS . 1.0 OUTLIER -48.99 -58.07 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -45.73 -21.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.457 ' C ' ' HE3' ' A' ' 97' ' ' LYS . 2.7 m -95.85 -43.89 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -53.6 -21.29 6.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.1 mm -42.0 136.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 10.2 t -120.74 -23.21 6.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 105' ' ' ILE . 7.3 tt -103.69 81.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.3 t -134.39 49.17 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.31 143.59 15.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.535 ' O ' ' C ' ' A' ' 109' ' ' SER . 54.1 Cg_endo -69.72 6.35 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 108' ' ' PRO . 57.6 p -27.18 117.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.1 t -114.55 176.69 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.515 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.5 p 39.93 41.72 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.356 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -68.86 -50.54 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.94 103.39 1.05 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -75.97 154.2 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -51.61 133.5 30.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.74 -121.23 4.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 31' ' ' HIS . . . -74.36 99.84 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -105.96 169.53 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.7 t -51.49 141.28 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.644 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -91.92 4.43 52.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -111.78 -54.95 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.2 p -96.02 -29.31 14.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 74.32 47.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 m -137.05 145.77 51.82 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.686 0.755 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.76 -44.76 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.09 -111.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -111.95 143.96 42.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 19' ' ' LEU . 3.9 mm? -91.96 -49.95 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.8 mt -66.45 -37.55 85.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.78 -47.65 67.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' CD ' ' HB3' ' A' ' 31' ' ' HIS . 24.0 pt20 -87.24 155.92 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.485 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 37.8 m-85 -81.53 171.42 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' A' ' 25' ' ' CYS . 17.1 t80 -135.8 118.95 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.485 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 49.7 t -68.96 153.17 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.2 p -101.83 -25.95 13.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.9 m -76.9 -64.52 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 21.3 p -88.74 -46.07 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 99.86 35.88 4.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -93.95 167.52 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.93 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 5.0 m-70 -122.43 152.39 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.644 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 74.1 m-85 -157.2 123.9 5.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -73.07 146.06 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.21 -18.29 27.53 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.7 mmt -90.76 -43.27 10.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.02 -25.91 67.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 32' ' ' TYR . 13.5 mt -112.06 -2.84 14.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 58.77 42.14 20.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.5 mt -103.76 142.92 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 42' ' ' THR . . . -84.37 98.7 10.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.5 115.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 40' ' ' ALA . 45.6 p -128.51 151.66 77.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -6.09 17.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -102.93 -49.42 3.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -57.7 -40.44 79.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -44.55 -49.12 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.43 136.79 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.97 50.53 54.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.485 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 67.7 t90 -92.26 143.32 26.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -136.95 123.05 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 1.0 OUTLIER -56.67 157.05 10.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.651 0.739 . . . . 0.0 110.859 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.9 Cg_endo -69.75 -13.44 34.7 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.251 . . . . 0.0 112.394 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -87.65 -10.97 49.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.548 ' O ' HG13 ' A' ' 56' ' ' VAL . 91.7 m -122.69 -51.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.9 pttm -31.96 147.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.701 HG12 ' HB2' ' A' ' 63' ' ' SER . 22.3 m -146.01 166.31 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.54 138.66 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 50.2 mm-40 -91.43 -16.17 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -80.9 -53.17 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 28.3 p -101.56 10.33 40.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 42.17 34.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 60' ' ' CYS . 19.0 mt-30 -134.52 174.92 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.701 ' HB2' HG12 ' A' ' 56' ' ' VAL . 9.1 t -140.86 135.67 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.9 -93.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.8 99.23 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -70.2 -52.28 24.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 t -50.81 -53.27 33.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -65.77 -40.26 91.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.8 ttm -45.63 128.03 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD1' HD11 ' A' ' 84' ' ' LEU . 1.9 mt -89.85 130.73 36.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.8 t -108.82 112.19 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.486 ' HB3' ' N ' ' A' ' 76' ' ' ASP . 12.1 t -55.9 161.81 2.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.01 -30.79 10.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -82.36 -58.13 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.452 ' SG ' ' CD ' ' A' ' 77' ' ' LYS . 12.7 p -101.07 -13.35 18.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.486 ' N ' ' HB3' ' A' ' 72' ' ' CYS . 0.7 OUTLIER 40.2 50.53 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' CD ' ' SG ' ' A' ' 75' ' ' CYS . 11.8 mtpp -78.26 -68.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.51 121.6 2.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 61.0 m-85 -147.08 133.84 20.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.951 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -67.67 168.68 10.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 88' ' ' MET . 0.7 OUTLIER -90.02 -21.94 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -106.62 18.46 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.9 m -116.71 -16.13 10.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.522 ' O ' HG13 ' A' ' 87' ' ' VAL . 10.4 mt -78.14 157.67 29.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 36.9 tt0 -129.09 102.34 19.0 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.5 Cg_endo -69.79 173.64 43.87 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.327 0.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 84' ' ' LEU . 1.3 m -87.75 149.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.494 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 76.8 mtp -94.98 78.15 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' MET . 3.9 mptp? -33.62 -48.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.0 m -116.73 174.31 6.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.685 HG13 ' HD2' ' A' ' 92' ' ' PRO . 96.4 t -109.77 139.31 21.12 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.681 0.753 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.685 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.81 147.61 62.92 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.689 2.26 . . . . 0.0 112.317 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 m -40.66 -63.28 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -168.56 143.68 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.93 68.2 1.06 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -109.11 134.29 51.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -114.78 125.4 53.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.3 p -69.86 163.62 25.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -64.86 -41.66 95.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -59.04 -22.09 60.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.3 m -95.26 -43.03 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -61.63 -13.51 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mm -46.37 141.18 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.9 m -95.27 111.93 23.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 106' ' ' SER . 6.0 pt -65.8 176.27 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 105' ' ' ILE . 8.0 t -35.11 116.88 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -113.43 149.54 18.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -4.3 13.78 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 t -61.96 113.13 2.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.9 t -122.84 43.54 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.509 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 t -151.85 131.19 12.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -94.93 119.47 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.12 -160.83 21.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -94.93 175.12 6.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -148.97 134.21 18.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.06 115.3 4.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' CB ' ' CE1' ' A' ' 31' ' ' HIS . . . 53.72 42.72 31.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -44.73 144.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' ASP . 12.6 t -57.17 123.99 17.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -72.37 5.0 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.447 HG21 HD11 ' A' ' 37' ' ' LEU . 94.3 t -115.1 -45.59 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 p -113.5 -17.84 12.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 36.5 t70 61.52 54.38 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 m -140.18 139.59 21.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.77 -51.73 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 30.68 -110.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.49 117.73 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.77 -47.82 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.7 -39.25 93.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.64 -47.61 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 3.4 pt20 -81.07 135.56 35.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.539 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 82.9 m-85 -60.73 172.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -135.72 116.49 14.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.9 t -71.27 154.99 41.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -104.01 -33.36 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.6 m -68.37 -63.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -87.9 -43.76 11.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.06 34.59 5.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -100.72 157.12 16.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -107.53 156.83 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 56.6 m-85 -157.73 121.43 4.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 36.5 m80 -63.11 159.02 18.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.26 -19.68 79.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.3 tpt -94.56 -39.58 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.26 -27.91 49.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD11 HG21 ' A' ' 12' ' ' VAL . 9.8 mp -110.72 4.82 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.1 t70 58.57 36.94 25.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.1 mt -101.66 146.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 42' ' ' THR . . . -91.92 98.66 11.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -46.09 119.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 40' ' ' ALA . 37.7 p -132.76 154.45 81.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.29 2.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -104.51 -48.11 3.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 46' ' ' ARG . 18.0 mtmt -61.54 -54.71 39.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 45' ' ' LYS . 16.3 mtp-105 -34.14 -40.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.28 123.22 26.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.37 54.61 26.12 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.539 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 64.1 t90 -84.69 142.44 29.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.709 0.29 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -128.25 111.56 13.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 2.8 p -46.78 156.75 0.51 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 54.1 Cg_endo -69.79 -3.11 11.36 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.679 2.253 . . . . 0.0 112.377 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 4.1 mm-40 -96.42 -21.39 17.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.9 m -110.87 -32.08 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 4.2 ttpm? -59.52 139.22 57.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.409 HG12 ' HB3' ' A' ' 63' ' ' SER . 19.6 m -138.8 172.47 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 41.5 t -61.82 118.7 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -78.74 7.42 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -107.33 -39.17 5.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.2 p -122.15 -21.57 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.63 53.1 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -133.71 106.97 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.409 ' HB3' HG12 ' A' ' 56' ' ' VAL . 25.7 p -80.79 140.55 35.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.89 -58.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 69' ' ' MET . 2.4 mp0 -85.34 115.02 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.21 -55.01 3.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.1 t -49.75 -59.63 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -58.39 -43.15 88.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 9.1 ttm -53.61 107.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 mt -81.94 111.76 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.6 t -90.29 110.53 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.7 t -55.37 130.69 43.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -81.32 18.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.5 m -122.45 -59.14 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.06 -41.79 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 74.16 51.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 55' ' ' LYS . 40.2 mttt -89.31 -43.96 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.66 118.83 4.43 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.519 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -147.3 122.68 10.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 28.6 m170 -71.97 137.55 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.438 ' HA ' HD12 ' A' ' 84' ' ' LEU . 25.1 p -44.99 -47.54 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 15.6 p90 -70.26 -23.33 62.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 63.1 m -87.57 21.13 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 86' ' ' PRO . 87.4 mt -112.75 137.45 51.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 5.3 tt0 -119.73 105.48 43.22 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.3 Cg_endo -69.83 175.12 38.05 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.303 0.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 t -84.69 149.77 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.419 ' HE1' ' CD1' ' A' ' 96' ' ' TRP . 7.8 mmm -86.71 138.3 31.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -88.91 -40.09 13.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.8 p -134.26 174.91 9.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.86 118.09 61.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.03 22.55 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 78.7 p -110.13 43.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -131.75 -52.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.5 86.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.419 ' CD1' ' HE1' ' A' ' 88' ' ' MET . 52.3 t90 -74.87 147.02 41.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.842 0.353 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -140.26 126.53 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.9 141.48 40.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 100' ' ' ASN . 18.2 tttp -41.73 -61.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 99' ' ' LYS . 14.8 m120 -34.65 -36.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' LYS . 22.4 m -85.94 -47.68 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 103' ' ' ILE . 49.6 mtp180 -46.46 -35.93 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 102' ' ' ARG . 29.1 mm -31.57 127.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 3.2 t -85.93 140.48 30.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.2 tt -82.96 157.92 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.2 t -110.64 -45.66 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.86 146.46 19.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 102.42 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.0 p -85.15 -49.73 8.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.81 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.0 p -95.42 -38.3 10.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.495 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -45.77 157.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.829 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 t -125.48 148.32 48.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.54 70.3 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.444 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -115.16 104.53 11.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.858 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -139.85 117.87 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.52 166.11 35.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.4 97.3 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -104.35 175.93 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.4 t -68.11 130.63 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.648 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -85.76 6.33 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.477 HG21 HD11 ' A' ' 37' ' ' LEU . 88.7 t -111.43 -40.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 p -114.9 -28.27 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 14.0 t70 74.69 48.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.89 142.92 37.89 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.702 0.763 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -51.36 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.96 -116.92 0.62 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -114.0 117.98 32.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -78.62 -45.53 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.47 -40.55 95.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.08 -51.38 69.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -78.28 167.3 21.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.601 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 58.8 m-85 -79.79 162.01 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -136.43 111.09 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t -61.45 156.0 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 p -103.17 -34.97 8.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.177 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.2 m -68.02 -67.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 p -82.43 -34.59 28.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.62 35.95 12.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 62.7 mm-40 -96.28 167.43 11.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.504 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 27.1 m170 -125.77 145.26 50.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.648 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 9.0 m-85 -152.07 121.52 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -64.99 162.24 17.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' ASP . . . -73.25 -32.35 60.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ptm -77.85 -27.22 49.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.8 -24.17 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 32' ' ' TYR . 5.6 mp -122.64 -8.84 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 34' ' ' GLY . 32.4 t0 70.86 41.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -102.49 141.2 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.57 116.54 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.8 t -57.83 91.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.44 149.28 35.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 5.2 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.234 . . . . 0.0 112.396 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.466 HD23 ' C ' ' A' ' 44' ' ' LEU . 4.7 tt -102.97 -55.9 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 31.9 mttt -56.57 -53.32 58.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -38.8 -47.44 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.44 92.39 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.31 50.57 4.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 37.7 t90 -76.83 166.23 23.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 6.7 mt-30 -153.55 112.67 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 53' ' ' GLU . 1.9 p -50.8 155.58 1.93 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.626 0.727 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.38 16.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.286 . . . . 0.0 112.31 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.41 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.1 mt-10 -95.73 -17.1 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.2 m -115.84 -23.97 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -65.0 141.48 58.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 12.4 m -143.15 175.31 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 43.5 t -64.1 153.17 38.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -107.67 -20.68 13.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -78.08 -51.13 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.8 p -102.4 -30.27 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt 67.12 47.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -137.57 104.33 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.408 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 22.2 p -74.35 142.18 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.46 -65.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -75.78 55.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.53 -47.37 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.9 m -48.5 -51.05 29.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -85.78 38.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.8 ttt -122.42 106.75 11.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.624 HD12 HD11 ' A' ' 84' ' ' LEU . 22.9 mt -75.57 102.26 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.5 t -83.66 107.17 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.2 t -49.21 162.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.434 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 2.3 m-20 -105.36 -34.28 7.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.0 m -77.3 -72.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.418 ' HA ' HD22 ' A' ' 44' ' ' LEU . 13.5 p -80.59 -26.12 38.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t70 67.04 54.52 0.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 35.7 mttm -106.57 119.13 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.0 129.04 40.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.428 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 56.4 m-85 -146.92 114.34 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 33.9 m170 -62.41 137.93 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 87' ' ' VAL . 14.8 p -50.49 -37.19 37.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.588 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.0 p90 -78.01 -27.83 49.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.4 m -84.76 19.26 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.624 HD11 HD12 ' A' ' 70' ' ' LEU . 44.8 mt -101.39 150.14 23.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 32.4 tp60 -128.91 101.79 19.75 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.638 0.733 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.83 179.56 22.11 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.354 0.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 82' ' ' PHE . 3.0 t -85.76 146.46 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 15.7 mmm -93.37 131.15 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -77.02 -40.86 45.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.2 p -138.71 170.33 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -96.43 114.69 64.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.439 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.79 151.84 68.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.1 p -120.96 39.35 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -133.89 31.53 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.96 111.01 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.508 ' CE2' HD13 ' A' ' 70' ' ' LEU . 12.7 t90 -97.42 154.92 17.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.06 117.4 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.4 p -69.44 169.54 12.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.518 ' O ' HD12 ' A' ' 103' ' ' ILE . 10.4 tmtt? -61.15 -65.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.416 ' O ' HD13 ' A' ' 103' ' ' ILE . 2.0 t30 -38.53 -25.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 99' ' ' LYS . 18.5 m -94.88 -39.31 10.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' LYS . 14.6 ptt85 -45.34 -37.83 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 99' ' ' LYS . 2.9 mp -35.36 119.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.63 147.57 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.6 tt -55.28 133.13 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.6 m 54.5 45.19 27.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.01 151.4 28.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -37.99 8.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.7 t -99.46 84.84 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.7 t -130.97 163.89 26.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.496 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 t -51.65 141.51 16.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.381 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -172.94 131.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.06 114.69 4.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -120.64 -60.93 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.905 0.383 . . . . 0.0 110.881 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -71.08 -63.21 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.48 -87.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.54 95.81 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -135.96 174.16 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.6 t -64.54 143.43 57.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.878 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -94.35 4.52 53.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -113.36 -45.61 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 p -105.67 -28.57 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.8 t0 72.86 46.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -138.53 148.14 57.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.77 -46.69 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.9 -123.22 0.71 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -103.78 138.69 40.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.846 HD13 ' NE2' ' A' ' 22' ' ' GLN . 4.4 mm? -93.42 -32.27 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -71.89 -55.16 8.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -48.77 -45.31 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.846 ' NE2' HD13 ' A' ' 19' ' ' LEU . 13.9 pt20 -72.47 167.54 20.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 37.5 m-85 -106.33 160.44 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.402 ' CD2' ' O ' ' A' ' 24' ' ' PHE . 9.1 t80 -124.99 108.46 11.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -56.38 154.47 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -100.91 -32.11 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.7 m -70.97 -65.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -86.8 -44.86 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.64 40.39 4.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.47 177.41 5.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' CD2' ' N ' ' A' ' 31' ' ' HIS . 4.0 m-70 -122.78 142.13 51.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.878 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 99.4 m-85 -153.81 125.34 7.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -70.75 157.81 37.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.97 -32.3 80.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ASP . 9.9 ttm -79.76 -53.11 7.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 m -40.59 -41.68 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.634 HD13 ' HB3' ' A' ' 32' ' ' TYR . 9.5 mp -94.56 -17.32 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' MET . 1.7 m-20 70.28 43.73 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.6 mt -107.3 148.11 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.37 110.35 19.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.038 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.26 115.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.3 p -131.25 155.95 80.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.23 2.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 75' ' ' CYS . 4.3 tt -102.68 -49.28 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -62.39 -48.72 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -40.6 -42.54 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.1 100.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.43 46.2 52.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.56 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 67.1 t90 -45.45 155.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.687 0.279 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -125.22 125.66 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 3.4 p -71.9 157.7 89.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.652 0.739 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.76 -5.86 17.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 10.5 mm-40 -96.08 -18.26 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 68.7 m -113.1 -30.05 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -57.91 146.96 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.466 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 13.4 m -157.97 167.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.2 t -56.39 152.86 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -108.01 -18.62 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -83.55 -46.07 12.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.4 p -107.5 -30.81 8.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm 67.34 50.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -135.44 111.69 9.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.6 p -81.45 127.74 33.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.91 -55.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 21.4 mp0 -94.86 87.17 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.02 -53.47 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -48.64 -58.69 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -59.74 -41.79 91.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.7 ttm -48.2 124.2 7.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.81 HD21 HG13 ' A' ' 91' ' ' VAL . 6.4 mt -87.59 111.72 21.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.403 ' CG1' ' OD1' ' A' ' 76' ' ' ASP . 89.5 t -86.65 100.38 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.5 t -48.06 125.94 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.73 25.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.8 m -129.43 -49.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.821 ' HA ' HD22 ' A' ' 44' ' ' LEU . 24.1 p -113.59 -28.01 7.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.403 ' OD1' ' CG1' ' A' ' 71' ' ' VAL . 36.4 t70 63.42 53.66 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -88.18 -59.71 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.97 113.27 2.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -146.58 120.68 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.941 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -60.8 177.73 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.0 p -89.88 -25.82 20.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.488 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 3.9 p90 -107.79 23.45 14.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 28.8 m -120.48 -17.04 8.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' PRO . 27.2 mt -77.1 160.33 29.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 5.1 pt20 -130.16 101.11 18.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.79 -178.2 16.26 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.351 -0.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.488 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -91.81 158.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.571 ' HE2' ' CD1' ' A' ' 96' ' ' TRP . 19.0 mmm -102.49 79.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 88' ' ' MET . 40.1 mmtm -32.94 -40.48 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.7 m -138.45 179.46 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.81 HG13 HD21 ' A' ' 70' ' ' LEU . 42.0 t -112.75 121.34 38.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.636 0.731 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 94' ' ' ASN . 53.5 Cg_endo -69.79 -2.51 10.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.79 ' H ' HG12 ' A' ' 91' ' ' VAL . 75.4 p 33.48 35.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 92' ' ' PRO . 12.7 m-80 -127.31 45.63 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.39 69.79 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.463 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 88' ' ' MET . 67.6 t90 -70.18 150.78 46.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -129.17 128.9 44.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.2 p -72.22 143.89 48.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.477 ' CE ' HD11 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -40.83 -61.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.419 ' N ' ' HD3' ' A' ' 99' ' ' LYS . 3.0 t-20 -36.47 -38.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.4 m -81.4 -49.41 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 103' ' ' ILE . 9.4 mtp-105 -46.17 -34.67 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.477 HD11 ' CE ' ' A' ' 99' ' ' LYS . 38.1 mm -32.31 121.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.0 t -93.59 159.67 15.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.9 mm -98.58 104.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t -102.85 82.67 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -114.13 -172.59 17.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.3 m -109.52 124.49 51.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.0 p -46.12 170.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.067 -0.852 . . . . 0.0 112.503 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -150.85 119.69 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -75.88 177.87 6.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.83 61.33 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.4 p -124.67 154.41 40.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p -102.49 -51.2 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.45 147.26 21.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.889 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . -91.74 93.95 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -92.84 167.18 12.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 35.9 t -59.4 122.04 12.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.838 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -74.35 5.0 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.35 -40.2 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 p -120.05 -21.5 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' CYS . 41.0 t0 62.54 49.82 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.7 m -128.73 117.19 19.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.8 -7.3 20.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -27.98 -90.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.536 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -91.28 126.46 36.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.536 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.6 mm? -94.55 -42.58 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ASP . 7.6 mp -65.01 -53.87 39.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LEU . 1.5 m-20 -37.73 -52.2 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.567 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 2.3 pt20 -76.94 133.4 39.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.574 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 10.1 m-85 -68.12 178.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -133.01 124.09 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.9 t -84.31 154.96 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.5 p -104.35 -32.02 9.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.0 m -69.75 -67.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.5 p -84.52 -43.14 14.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.52 35.87 6.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -102.81 165.24 11.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.889 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 25.5 m170 -116.82 149.79 39.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.838 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 86.3 m-85 -151.46 121.18 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 28.6 m170 -64.07 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.14 -23.81 62.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.5 ttp -87.95 -46.05 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.9 m -52.9 -31.02 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -100.88 1.11 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 61.53 31.41 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.8 mt -107.68 137.0 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.6 102.27 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' CE1' ' A' ' 23' ' ' PHE . 6.7 p -61.79 107.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 23.7 p -105.72 158.17 32.95 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 111.177 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 53.8 Cg_endo -69.69 -4.21 13.52 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.533 HD23 HG22 ' A' ' 74' ' ' THR . 19.2 tp -105.63 -20.21 13.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.698 ' HZ1' ' N ' ' A' ' 74' ' ' THR . 1.1 ttmm -79.21 -53.0 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LYS . 80.1 mtp180 -35.22 -52.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.72 123.87 16.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.37 60.48 4.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 23' ' ' PHE . 70.0 t90 -91.01 141.6 28.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.713 0.292 . . . . 0.0 110.908 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -125.7 109.36 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.6 p -43.85 156.59 0.3 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -10.96 29.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.58 -14.71 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.623 ' O ' HG13 ' A' ' 56' ' ' VAL . 66.6 m -115.64 -53.49 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 54' ' ' CYS . 13.5 pttp -31.9 138.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 54' ' ' CYS . 5.1 m -141.21 178.84 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.3 t -69.55 153.13 43.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -110.05 -15.11 14.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -84.75 -41.88 15.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.2 p -113.46 -27.76 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 67.51 54.83 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 1.3 pt20 -140.41 123.98 17.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.3 p -95.31 114.21 25.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.42 -57.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 77.8 mm-40 -80.0 47.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.98 -61.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.9 m -40.59 -56.05 2.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -62.03 -34.47 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.7 ttm -64.86 126.03 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.512 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 4.5 mp -83.16 144.61 29.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.3 t -111.5 101.93 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 42.0 t -52.79 129.82 31.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.56 24.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.698 ' N ' ' HZ1' ' A' ' 45' ' ' LYS . 27.2 m -130.58 -43.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.07 -38.31 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t70 73.32 54.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -86.4 -68.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.28 116.39 2.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -146.4 122.11 10.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.473 ' CD2' ' HB2' ' A' ' 65' ' ' GLU . 38.1 m80 -59.25 137.69 57.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.463 HG22 HD11 ' A' ' 70' ' ' LEU . 4.7 p -45.04 -47.34 11.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 12.1 p90 -70.66 -23.83 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 39.9 m -83.46 21.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -117.65 142.51 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.453 ' CD ' ' O ' ' A' ' 85' ' ' GLN . 2.5 pp0? -124.23 106.56 30.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.8 Cg_endo -69.81 171.03 55.79 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.351 0.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 88' ' ' MET . 3.2 t -81.83 153.37 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.468 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 94.7 mtp -101.68 100.63 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -47.33 -43.21 22.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.3 p -132.34 177.75 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.571 HG13 ' HD2' ' A' ' 92' ' ' PRO . 79.3 t -108.63 136.15 19.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.0 Cg_endo -69.74 171.34 14.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.723 2.282 . . . . 0.0 112.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.1 t -122.88 -17.4 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -97.21 51.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.11 135.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' A' ' 70' ' ' LEU . 50.4 t90 -108.4 145.03 35.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -126.69 124.54 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.7 167.55 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 102' ' ' ARG . 26.7 tttt -67.57 -59.18 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -40.88 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 99' ' ' LYS . 7.3 m -95.72 -31.15 13.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 99' ' ' LYS . 6.5 ptm180 -51.22 -33.96 30.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.3 mp -43.61 129.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.0 p -74.04 165.57 24.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.2 tt -133.5 145.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -48.45 101.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -155.71 147.62 16.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -176.39 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.3 t -110.89 -45.13 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.8 m -108.47 -60.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.499 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -126.26 83.07 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -104.49 121.75 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.04 -66.87 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -99.44 125.26 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -43.41 153.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.9 78.23 1.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.08 27.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 111.064 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -95.59 162.88 13.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.9 t -56.83 120.13 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -72.29 6.36 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -113.48 -53.15 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 19.0 p -102.35 -5.08 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 13' ' ' CYS . 3.5 p30 49.7 41.57 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -138.41 142.32 34.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.651 0.739 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.75 -51.6 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 32.99 -130.81 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -82.87 117.15 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.28 -29.42 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.65 -28.94 9.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -110.03 35.79 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.461 ' CG ' ' CD2' ' A' ' 33' ' ' HIS . 20.6 mt-30 -113.76 123.56 50.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.6 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 72.7 m-85 -71.33 162.83 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -136.57 115.75 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.8 t -71.35 153.79 42.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.8 p -98.18 -27.24 14.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.8 m -77.18 -65.34 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 p -87.03 -45.14 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.47 40.67 4.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -95.7 175.2 6.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.616 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 2.0 m80 -126.32 149.93 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 4.4 m-85 -154.4 148.97 26.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CD2' ' CG ' ' A' ' 22' ' ' GLN . 34.1 m80 -89.54 155.37 19.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.8 -29.01 74.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.9 ttm -86.28 -44.04 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.0 m -52.14 -35.08 47.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -110.45 1.09 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 54.69 44.41 28.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -102.21 141.3 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.78 101.83 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.73 122.54 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.8 147.87 50.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.149 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.53 3.43 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.8 tp -103.14 -32.65 9.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 46' ' ' ARG . 27.5 ttmt -83.34 -49.69 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 45' ' ' LYS . 15.5 mtp-105 -33.0 -37.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . -74.46 122.69 23.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.06 60.58 3.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.6 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 49.2 t90 -78.94 147.98 32.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -118.66 112.6 20.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.596 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 2.4 p -63.37 156.85 67.92 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.7 Cg_endo -69.79 -1.87 9.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -98.1 -17.98 18.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.8 m -118.41 -28.11 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HE2' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -53.85 150.02 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 55' ' ' LYS . 27.5 m -160.93 162.63 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 59' ' ' ASN . 41.8 t -67.13 115.55 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.16 -17.97 60.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 57' ' ' CYS . 6.6 m120 -67.76 -54.1 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.1 p -102.89 -12.02 17.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 65.36 48.43 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -141.08 136.14 31.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.478 ' CB ' HG12 ' A' ' 56' ' ' VAL . 81.7 p -83.21 6.72 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.08 -176.27 34.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 42.68 53.6 4.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 69' ' ' MET . 0.9 OUTLIER -64.43 -49.11 72.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -48.45 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' MET . 60.4 mttm -58.29 -41.0 83.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.1 ttt -33.03 132.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.713 HD11 HG22 ' A' ' 81' ' ' THR . 12.9 mt -104.02 107.46 18.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.689 HG22 ' HE2' ' A' ' 55' ' ' LYS . 67.1 t -82.89 114.14 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.51 127.0 29.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.23 26.41 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.4 m -132.01 -47.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.1 p -115.28 -32.98 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 65.04 54.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -88.88 -52.79 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.88 111.84 2.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.538 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -146.44 122.41 10.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.882 0.373 . . . . 0.0 110.93 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 46.8 m170 -66.02 167.93 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.713 HG22 HD11 ' A' ' 70' ' ' LEU . 24.4 p -80.76 -32.85 35.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.161 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -99.23 24.7 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 80' ' ' HIS . 52.8 m -124.89 -22.02 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.552 ' O ' HG13 ' A' ' 87' ' ' VAL . 24.0 mt -69.64 164.99 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 77.9 mt-30 -137.2 101.64 9.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.5 Cg_endo -69.74 174.61 39.79 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.316 0.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -90.09 160.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' LYS . 6.9 mmm -105.99 77.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -35.02 -38.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 p -123.32 173.93 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.655 HG13 ' HD2' ' A' ' 92' ' ' PRO . 99.4 t -109.14 139.16 20.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.655 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.76 176.76 6.34 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.4 m -127.11 -55.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -53.48 -54.4 37.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.16 140.62 3.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.452 ' HB2' ' CG ' ' A' ' 92' ' ' PRO . 40.5 t90 -111.68 158.5 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -153.98 131.45 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.5 p -69.09 168.91 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 47.5 tttt -73.57 -48.98 28.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -48.56 -23.06 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 10.0 m -95.85 -46.78 6.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 103' ' ' ILE . 1.4 ptm180 -47.46 -29.9 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' ARG . 41.2 mm -35.56 136.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 66.0 m 60.16 45.25 11.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 106' ' ' SER . 7.1 tp -42.03 -42.6 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.445 ' N ' HG23 ' A' ' 105' ' ' ILE . 1.8 t -148.22 115.29 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.85 157.96 1.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 150.14 67.82 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.5 m -112.41 159.77 18.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.8 t -117.92 94.28 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.428 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -65.81 147.58 53.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -70.95 137.23 49.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.17 159.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 t -124.5 85.31 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.92 155.52 8.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.55 -148.74 5.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.55 26.68 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -99.43 176.73 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 6.5 t -69.36 132.36 46.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.596 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -86.91 6.33 32.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -113.29 -43.83 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.3 p -109.29 -27.47 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 9.3 t70 72.51 47.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.5 m -137.45 140.99 32.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.692 0.758 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLY . 54.1 Cg_endo -69.78 -51.12 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.94 -116.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.88 128.67 55.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.23 -40.31 10.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.23 -40.54 96.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -65.54 -46.1 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -78.76 147.41 33.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.553 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 90.5 m-85 -66.57 159.8 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 67.7 t80 -136.19 119.8 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.4 t -66.69 156.43 35.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -106.76 -30.82 8.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.5 m -71.39 -63.04 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -86.43 -41.43 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.63 39.11 5.07 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -97.22 176.99 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.414 ' CE1' ' CD1' ' A' ' 24' ' ' PHE . 8.1 m80 -133.95 144.3 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 60.0 m-85 -150.46 121.35 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -67.61 141.12 56.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.78 -35.4 17.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -50.34 16.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.9 m -50.21 -33.73 20.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 37' ' ' LEU . 11.2 mt -97.46 -22.15 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 73.33 42.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.0 mt -113.22 139.94 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.76 103.44 6.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.34 128.54 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.33 151.14 63.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.33 4.54 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.7 HD23 ' CG2' ' A' ' 74' ' ' THR . 14.0 tp -102.44 -45.35 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.3 ttmp? -69.62 -52.5 25.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LYS . 17.5 mtp-105 -34.56 -45.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.08 101.7 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.57 49.74 5.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.553 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 91.4 t90 -83.56 152.61 24.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.698 0.285 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -139.02 134.63 33.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 1.8 p -71.16 157.68 89.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.75 -10.06 27.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.24 -21.98 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.58 ' O ' HG13 ' A' ' 56' ' ' VAL . 88.3 m -110.73 -29.71 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.99 136.47 41.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.799 HG12 ' HB2' ' A' ' 63' ' ' SER . 5.2 m -142.98 151.89 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.1 t -57.72 114.76 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -71.68 -19.17 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 83' ' ' CYS . 8.7 m120 -67.12 -56.36 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 28.6 p -108.7 12.96 25.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm 46.95 53.2 10.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.449 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 58.0 mm-40 -148.75 149.25 31.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.799 ' HB2' HG12 ' A' ' 56' ' ' VAL . 9.3 t -97.03 -10.78 25.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.29 -170.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 40.88 50.06 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' MET . 42.5 m-20 -58.62 -57.92 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.4 m -41.29 -59.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -62.81 -40.25 96.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.402 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 3.7 ttt -42.66 132.11 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.49 HD11 HG22 ' A' ' 81' ' ' THR . 8.7 mt -105.59 111.14 23.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.4 t -88.19 114.36 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.447 ' HB3' ' N ' ' A' ' 76' ' ' ASP . 10.4 t -57.55 164.66 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -103.53 -33.05 9.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.7 ' CG2' HD23 ' A' ' 44' ' ' LEU . 18.5 m -83.24 -65.94 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.8 p -88.18 -16.47 33.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' N ' ' HB3' ' A' ' 72' ' ' CYS . 5.2 m-20 43.62 54.84 5.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.66 -75.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.62 112.3 2.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -146.6 132.13 18.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 110.943 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 22.8 m170 -70.27 153.61 42.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.49 HG22 HD11 ' A' ' 70' ' ' LEU . 19.0 p -61.27 -57.22 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -64.8 -3.68 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 59' ' ' ASN . 26.0 m -101.53 -7.24 22.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' PRO . 67.6 mt -85.75 145.28 27.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 15.5 pt20 -123.24 102.46 36.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.77 177.26 29.49 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.336 0.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.17 143.31 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.8 mmm -73.52 130.14 39.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -68.28 -32.59 72.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.9 m -146.56 172.5 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.98 129.3 27.54 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.427 ' HD2' HD21 ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.77 150.43 68.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.236 . . . . 0.0 112.341 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 94' ' ' ASN . 9.3 t -71.38 -43.2 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.455 ' N ' HG23 ' A' ' 93' ' ' THR . 13.0 t30 -170.55 155.93 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.86 48.98 5.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -101.4 139.82 36.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -132.51 127.86 36.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.25 171.34 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' ARG . 58.5 tttp -63.8 -69.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 99' ' ' LYS . 2.2 t-20 -34.12 -37.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.8 m -75.74 -48.37 22.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 99' ' ' LYS . 5.8 ptt180 -57.29 -29.66 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 102' ' ' ARG . 26.4 mm -35.35 130.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.2 t -76.58 96.77 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.7 mt -95.88 129.39 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.3 t -105.94 164.33 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -88.68 124.49 7.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 158.56 56.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 56.0 m 56.39 42.1 28.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.6 m -73.74 163.03 28.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.473 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -62.26 100.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.912 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.7 p -70.22 104.57 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.87 75.2 1.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -109.08 -56.53 2.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -71.65 125.73 27.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.76 -135.83 3.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' HB1' ' NE2' ' A' ' 31' ' ' HIS . . . -69.02 101.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.336 . . . . 0.0 111.068 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -138.3 162.29 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 14' ' ' ASP . 33.9 t -50.99 121.68 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.594 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -70.4 0.72 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.07 -40.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 14' ' ' ASP . 14.8 p -121.61 20.36 11.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 13' ' ' CYS . 1.3 p30 32.89 41.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.91 143.99 49.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.653 0.739 . . . . 0.0 110.867 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -44.28 2.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.7 -142.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -73.27 130.22 39.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -90.97 -27.51 18.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.3 mt -85.5 -55.57 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -49.36 -42.31 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.15 171.62 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.585 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 42.6 m-85 -109.74 150.57 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 25' ' ' CYS . 14.8 t80 -122.42 113.72 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.429 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 48.9 t -64.54 154.59 35.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.3 p -100.42 -28.84 12.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.7 m -74.78 -62.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 p -89.26 -45.47 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.13 41.65 5.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -91.73 178.87 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' NE2' ' HB1' ' A' ' 8' ' ' ALA . 7.0 m-70 -124.09 131.32 53.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 93.3 m-85 -143.26 122.65 13.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -69.64 166.46 19.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.01 -22.7 62.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.8 mmt -94.82 -39.01 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 m -56.46 -35.94 68.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.496 HD12 ' HB3' ' A' ' 32' ' ' TYR . 13.1 mt -100.08 -0.58 38.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 60.93 40.45 15.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.7 mt -106.45 141.27 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.17 106.26 15.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.4 124.96 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.404 ' CG2' ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -140.1 147.16 49.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.537 0.684 . . . . 0.0 111.15 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 1.26 4.61 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' CD2' HG22 ' A' ' 74' ' ' THR . 9.3 tp -101.48 -33.54 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' CE ' ' HB2' ' A' ' 76' ' ' ASP . 38.0 mttp -82.24 -55.61 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LYS . 61.4 mtp180 -33.78 -55.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.0 107.69 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.12 49.9 49.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.585 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 84.6 t90 -82.11 160.73 23.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.666 0.27 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 13.3 mt-30 -138.21 138.23 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.538 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.9 p -78.18 156.32 79.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.6 Cg_endo -69.79 -3.64 12.43 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 7.0 mm-40 -96.09 -15.02 22.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.593 ' O ' HG13 ' A' ' 56' ' ' VAL . 86.9 m -121.01 -45.35 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 54' ' ' CYS . 18.2 ptmt -29.87 143.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 54' ' ' CYS . 17.0 m -144.26 175.91 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.1 t -69.34 151.46 46.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -104.68 -13.37 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -88.05 -46.7 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.7 p -103.14 -31.72 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt 67.98 44.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -138.39 112.2 8.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.9 p -73.5 129.21 37.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -177.66 -58.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -96.1 109.21 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.7 -54.63 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.8 m -47.07 -62.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -57.41 -40.59 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.509 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 12.4 ttm -55.43 115.34 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.9 mt -71.04 140.28 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.4 t -113.01 100.72 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.62 163.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -107.43 -25.63 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.484 HG22 ' CD2' ' A' ' 44' ' ' LEU . 33.1 m -86.87 -59.32 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 19.2 p -84.79 -27.47 26.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.487 ' HB2' ' CE ' ' A' ' 45' ' ' LYS . 26.5 t70 65.5 53.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -117.61 173.63 6.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.22 134.74 12.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -146.53 113.24 6.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 34.4 m170 -68.0 147.07 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.525 ' C ' HG23 ' A' ' 87' ' ' VAL . 35.4 p -62.7 -53.82 48.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -60.56 -29.97 69.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 80' ' ' HIS . 12.2 m -69.06 -24.36 64.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' PRO . 59.8 mt -75.66 144.02 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 2.6 pt20 -125.62 103.5 28.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.6 Cg_endo -69.78 -179.14 18.37 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.349 -0.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.525 HG23 ' C ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -97.84 141.93 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.494 ' O ' HG22 ' A' ' 87' ' ' VAL . 6.2 mmm -63.44 165.81 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -109.8 -41.53 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.9 m -132.69 177.34 7.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.1 t -107.34 120.45 47.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -173.83 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.629 2.22 . . . . 0.0 112.359 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 93' ' ' THR . 7.0 t -116.61 103.27 10.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 93' ' ' THR . 68.4 m-80 33.02 43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -149.93 44.41 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -110.89 155.59 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -139.18 119.4 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' CYS . 15.1 p -71.45 146.79 48.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -46.41 -31.93 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.65 -32.47 72.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 98' ' ' CYS . 9.3 m -89.04 -50.29 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 103' ' ' ILE . 19.4 ptt180 -42.99 -30.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 102' ' ' ARG . 23.0 mm -34.81 134.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.6 m -67.96 110.25 3.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.1 mm -85.02 -44.66 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.7 t -45.24 110.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 108' ' ' PRO . . . 165.91 -139.31 5.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 107' ' ' GLY . 53.8 Cg_endo -69.75 87.55 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.8 p -49.94 -28.03 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 75.0 m -78.95 169.05 18.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.486 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -155.74 134.14 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -75.27 115.23 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.09 131.89 3.34 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -155.12 167.56 29.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 t -127.01 147.39 50.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -176.99 146.07 7.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.436 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 67.48 27.44 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -96.03 175.64 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.532 ' SG ' HG23 ' A' ' 12' ' ' VAL . 1.7 t -58.96 141.04 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.67 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -94.77 5.95 50.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.582 HG21 ' HB3' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -120.69 -33.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.11 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 p -117.04 -18.14 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 5.1 t70 60.94 44.2 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.93 144.15 52.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.76 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.58 -119.22 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.489 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 17.3 m-20 -105.69 114.25 28.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.83 -42.77 57.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.91 -32.76 74.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 18' ' ' ASP . 85.7 m-20 -70.48 -44.96 66.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 15.4 pt20 -76.99 135.17 38.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.531 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 38.1 m-85 -63.18 161.34 13.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -133.88 103.68 5.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.2 t -58.14 150.81 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.9 p -100.5 -29.24 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -71.23 -64.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -84.41 -39.08 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.97 36.44 6.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -100.72 170.53 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.586 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 1.3 m80 -130.94 151.56 51.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 4.1 m-85 -153.55 133.03 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.456 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 33.1 m80 -72.58 138.05 46.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.66 -19.14 12.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 36' ' ' CYS . 4.6 ppp? -93.46 -43.4 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.582 ' HB3' HG21 ' A' ' 12' ' ' VAL . 52.7 m -56.09 -35.02 66.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD12 ' CB ' ' A' ' 32' ' ' TYR . 13.6 mt -105.86 -11.02 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 70.67 37.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -100.81 137.5 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.15 119.48 25.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.22 115.87 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -125.78 154.64 73.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.68 29.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.467 HD23 HG22 ' A' ' 74' ' ' THR . 14.5 tp -91.25 -51.23 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' ARG . 42.5 mttt -57.68 -60.99 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' LYS . 58.5 mtp85 -35.15 -41.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 73.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 81.73 36.74 18.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.56 ' CZ2' ' HA ' ' A' ' 51' ' ' CYS . 49.5 t90 -40.12 159.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.713 0.292 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -135.35 109.16 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.9 p -55.24 156.0 8.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.46 14.08 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -95.23 -19.65 19.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.559 ' O ' HG13 ' A' ' 56' ' ' VAL . 95.4 m -113.06 -26.56 8.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -53.22 138.21 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 54' ' ' CYS . 15.1 m -144.64 175.77 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 52.8 t -69.47 149.95 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -105.58 -21.66 13.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -73.53 -48.82 30.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 p -103.36 -12.14 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 1.9 mmmp? 56.86 54.96 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 61' ' ' LYS . 81.5 mm-40 -154.37 158.6 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 p -112.72 120.07 40.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.18 -117.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -47.94 108.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.22 -50.43 6.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -49.1 -44.17 41.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -96.3 38.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.475 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 1.6 ttt -118.42 105.72 11.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.507 HD12 ' CD1' ' A' ' 84' ' ' LEU . 90.8 mt -64.73 130.31 43.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.8 t -113.64 111.03 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.9 t -51.85 161.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.55 -35.25 8.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.467 HG22 HD23 ' A' ' 44' ' ' LEU . 50.1 m -75.46 -71.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.0 p -77.63 -32.13 53.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 70.77 54.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 21.0 mttm -112.06 139.47 47.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.38 137.23 25.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.506 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 81.4 m-85 -147.19 113.81 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.478 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 36.7 m80 -67.86 149.14 50.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 87' ' ' VAL . 18.3 p -65.55 -49.53 68.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -68.78 -1.87 8.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 m -99.95 -14.26 18.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD1' HD12 ' A' ' 70' ' ' LEU . 92.4 mt -89.35 141.23 28.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 48.2 tt0 -118.99 107.15 42.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.76 175.86 34.87 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.38 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -92.18 136.14 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.3 mmm -75.41 143.38 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -87.51 -36.75 17.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 62.3 m -142.38 170.58 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.3 t -95.99 118.62 65.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.46 11.11 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.7 p -91.6 41.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -128.18 -57.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.41 109.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -107.37 140.8 39.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -128.32 128.38 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.6 p -74.5 147.57 41.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.86 ' O ' HD12 ' A' ' 103' ' ' ILE . 29.3 tptt -43.99 -63.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.52 ' O ' HD13 ' A' ' 103' ' ' ILE . 5.2 m120 -38.16 -26.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' LYS . 9.9 m -94.4 -46.62 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 103' ' ' ILE . 56.4 mtp180 -40.15 -43.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 99' ' ' LYS . 4.2 mp -31.64 126.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.0 m -79.26 177.75 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 105' ' ' ILE . 18.4 mm 61.05 53.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.5 p -143.19 174.56 10.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.47 176.16 24.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -3.01 11.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.721 2.28 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.8 m -63.76 -60.3 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -113.08 137.13 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.452 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 t -127.55 111.13 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -38.17 156.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.84 112.8 2.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 p -119.67 -43.9 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -133.05 115.33 15.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.94 177.48 18.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.618 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . -75.31 94.04 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -129.34 178.39 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 18.0 t -63.76 144.17 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.596 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -94.07 5.33 52.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -116.29 -49.33 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -101.4 -19.51 15.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 63.99 47.05 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -143.22 149.3 47.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.49 -128.65 5.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' OD2' ' OD2' ' A' ' 21' ' ' ASP . 7.1 t0 -102.85 102.8 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.45 -23.51 66.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.73 -27.85 69.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD2' ' OD2' ' A' ' 18' ' ' ASP . 7.1 m-20 -108.68 31.25 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.525 ' CG ' ' CD2' ' A' ' 33' ' ' HIS . 7.3 mt-30 -118.32 133.27 56.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.59 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 65.5 m-85 -83.22 138.71 33.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -112.91 139.47 48.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.8 t -95.11 149.94 20.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.1 p -97.1 -22.61 16.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 m -80.6 -70.79 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 19.6 p -83.09 -46.58 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.428 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 98.69 44.83 2.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' OE1' ' HB2' ' A' ' 11' ' ' ALA . 4.6 mm-40 -100.67 172.37 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.618 ' CE1' ' HB1' ' A' ' 8' ' ' ALA . 1.1 m80 -126.11 149.9 48.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 15.2 m-85 -153.84 138.65 17.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CD2' ' CG ' ' A' ' 22' ' ' GLN . 49.9 m80 -83.14 150.6 26.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.77 -26.54 65.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.2 mmt -89.96 -37.89 14.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.333 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.7 m -58.06 -35.07 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' A' ' 32' ' ' TYR . 15.6 mt -107.81 -9.8 15.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 70.78 38.52 1.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.8 mt -101.22 138.18 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.06 106.25 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.607 HG11 ' NH2' ' A' ' 46' ' ' ARG . 95.1 t -50.81 122.3 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 p -138.91 155.04 73.2 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.575 0.702 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 3.58 2.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.307 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.3 tp -102.49 -51.3 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' ARG . 17.7 mtmt -61.53 -57.81 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.607 ' NH2' HG11 ' A' ' 41' ' ' VAL . 67.2 mtt180 -34.59 -44.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.96 85.19 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.99 37.38 1.85 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 64.8 t90 -88.23 141.22 28.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.73 0.3 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -130.83 108.67 10.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.571 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.6 p -41.05 157.15 0.2 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.5 Cg_endo -69.8 -7.08 20.17 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -96.07 -9.99 29.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.5 m -125.66 -23.76 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.645 ' NZ ' HG13 ' A' ' 71' ' ' VAL . 18.8 ptmt -51.89 152.0 3.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 55' ' ' LYS . 30.4 m -158.53 168.03 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 17.6 t -55.92 152.57 9.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 76.7 mm-40 -104.56 -14.17 15.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -87.19 -56.34 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 22.6 p -95.29 -25.29 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.37 47.99 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -136.48 126.25 25.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 p -89.15 128.5 35.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.42 120.48 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' SER . 9.2 p-10 -96.98 -61.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' ASP . 56.7 m -37.78 -62.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.0 -40.92 77.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.2 ttm -50.96 116.15 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 mt -84.84 103.92 14.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.645 HG13 ' NZ ' ' A' ' 55' ' ' LYS . 94.9 t -76.55 115.59 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.4 t -65.6 163.8 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -104.56 -38.17 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 m -73.58 -60.03 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.08 -27.2 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.84 42.67 28.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' HE3' ' A' ' 55' ' ' LYS . 8.7 mptt -85.35 -65.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.16 124.67 2.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 36.6 m-85 -146.88 125.38 12.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 30.2 m170 -63.49 170.95 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 87' ' ' VAL . 18.3 p -80.97 -28.2 35.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.48 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -103.93 25.83 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.5 m -124.0 -16.97 6.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' PRO . 23.4 mt -78.79 152.02 31.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 17.6 pt20 -123.91 101.64 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.2 Cg_endo -69.77 175.88 34.84 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.294 0.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -85.46 159.99 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 89' ' ' LYS . 7.5 mmm -102.98 70.66 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -35.57 -34.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' MET . 58.2 m -126.05 174.83 8.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 92' ' ' PRO . 86.3 t -109.75 137.53 20.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.667 0.746 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.603 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.7 174.08 9.99 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.3 m -86.22 -63.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.47 140.78 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.72 65.83 1.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -107.4 158.05 17.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -148.42 125.18 11.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -72.18 156.58 39.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 102' ' ' ARG . 13.6 tttp -52.84 -61.09 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -40.05 -23.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' LYS . 9.3 m -95.99 -33.26 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.9 ptp180 -54.33 -26.06 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 99' ' ' LYS . 2.0 mp -52.21 134.8 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 41.4 t -78.47 -36.32 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.9 mt -37.55 -59.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -110.09 93.27 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.402 ' HA3' ' HD2' ' A' ' 108' ' ' PRO . . . 157.04 -136.25 4.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 107' ' ' GLY . 53.7 Cg_endo -69.71 179.19 3.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.28 . . . . 0.0 112.337 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.1 t -114.54 42.71 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.5 t -109.6 41.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.447 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -164.05 110.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 p -59.98 123.5 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.41 135.09 12.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -67.29 93.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.864 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m -112.86 176.13 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.76 84.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.489 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . . . 60.15 30.16 19.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -70.01 145.23 51.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -50.98 125.93 14.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.616 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -74.2 5.35 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 t -116.33 -37.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 14' ' ' ASP . 14.4 p -124.21 19.26 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 13' ' ' CYS . 29.1 t70 33.01 42.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.95 142.1 44.19 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.684 0.755 . . . . 0.0 110.864 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.54 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.45 -117.71 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -108.38 125.38 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.625 HD23 HE21 ' A' ' 22' ' ' GLN . 39.6 mt -88.07 -49.11 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.1 mm? -64.12 -25.12 67.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.77 -36.49 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.625 HE21 HD23 ' A' ' 19' ' ' LEU . 14.1 pt20 -84.61 149.04 26.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.593 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 31.1 m-85 -75.46 157.62 33.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -130.54 105.48 7.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.0 t -51.32 146.74 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.1 p -102.07 -16.59 16.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -83.51 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.4 p -84.29 -39.56 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.27 30.23 7.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.435 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 9.0 mm-40 -95.51 159.56 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.489 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 2.2 m80 -120.97 134.66 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 68.5 m-85 -136.25 129.71 31.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -60.21 162.39 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -82.11 -21.82 60.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ttp -95.34 -44.13 7.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.4 m -52.67 -28.36 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 37' ' ' LEU . 14.9 mt -107.05 -6.02 17.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 70.57 33.55 2.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' GLY . 60.3 mt -102.63 136.73 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.22 118.56 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.29 97.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.6 p -115.3 155.38 47.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.93 2.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 44' ' ' LEU . 3.6 tt -101.84 -50.17 3.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 13.2 mtmt -62.87 -56.12 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 mtp-105 -39.97 -34.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.02 81.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.0 42.8 35.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 85.5 t90 -63.11 134.53 56.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -115.72 123.82 49.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.591 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.1 p -50.63 158.89 0.99 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.4 Cg_endo -69.79 -11.09 30.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 7.2 mm-40 -89.31 -16.52 30.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 80.6 m -114.16 -24.72 8.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.69 ' NZ ' HG13 ' A' ' 71' ' ' VAL . 8.5 tttt -68.42 140.03 55.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 11.0 m -157.42 169.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 45.3 t -55.61 126.07 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -86.28 -2.0 58.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.549 HD22 ' HD1' ' A' ' 79' ' ' TYR . 5.4 m-80 -89.2 -53.52 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.5 p -105.27 2.24 28.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 49.83 54.89 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -147.33 160.16 42.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 54.5 p -118.44 20.79 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 63' ' ' SER . . . -53.72 -106.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 69' ' ' MET . 15.9 mm-40 -45.16 114.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' MET . 1.1 p-10 -97.5 -45.52 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.9 t -59.14 -60.46 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -58.21 -38.87 77.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 5.0 ttm -41.56 103.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.684 HD21 ' HD2' ' A' ' 92' ' ' PRO . 15.7 mt -68.77 105.65 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.69 HG13 ' NZ ' ' A' ' 55' ' ' LYS . 84.1 t -88.99 108.12 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.9 t -58.13 158.76 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -102.97 -40.32 6.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.678 HG22 HD13 ' A' ' 44' ' ' LEU . 31.8 m -64.88 -65.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.59 ' HA ' HD22 ' A' ' 44' ' ' LEU . 20.4 p -86.05 -42.1 14.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 72.68 49.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 25.2 mmmt -87.04 -71.3 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 124.26 115.18 2.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.549 ' HD1' HD22 ' A' ' 59' ' ' ASN . 38.1 m-85 -146.7 132.7 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.929 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 19.8 m170 -73.11 143.65 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.7 p -50.56 -51.39 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.526 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 34.5 p90 -67.64 -16.35 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.526 ' SG ' ' CE1' ' A' ' 82' ' ' PHE . 75.1 m -95.99 18.65 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.8 mt -113.19 153.57 28.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 14.0 pt20 -129.52 104.08 17.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.639 0.733 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.73 178.77 24.22 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.318 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 88' ' ' MET . 2.8 t -85.15 155.21 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.479 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 18.8 mmm -102.28 69.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -38.76 -27.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 88' ' ' MET . 72.5 m -128.62 173.76 10.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' ' 92' ' ' PRO . 57.5 t -107.0 134.99 19.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.684 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.83 115.82 4.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 94' ' ' ASN . 76.3 p -34.07 -51.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 93' ' ' THR . 10.2 m120 -171.82 166.69 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.73 60.14 7.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 72.3 t90 -106.93 150.07 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -142.46 127.67 18.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.8 p -70.15 148.94 48.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -48.65 -52.04 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -48.09 -21.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.0 m -94.93 -47.87 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 103' ' ' ILE . 3.5 ptm180 -50.56 -31.87 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 102' ' ' ARG . 11.0 mm -33.8 118.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 86.8 m -88.91 86.04 6.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 tt -82.07 160.71 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.1 p -91.78 179.05 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.54 154.08 25.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.84 22.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 70.2 m -58.93 116.82 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.5 m -63.43 -58.0 8.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.469 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -123.21 146.9 47.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -52.87 -50.17 64.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.14 167.07 23.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t -104.22 102.08 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -49.21 -61.98 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.87 93.57 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.47 ' HB1' ' NE2' ' A' ' 31' ' ' HIS . . . -109.33 99.18 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.332 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -132.45 176.88 8.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 34.5 t -70.52 137.08 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.641 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -86.78 5.43 36.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.6 t -113.94 -55.71 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 p -97.38 -25.63 15.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 29.7 m-20 70.72 47.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.9 m -137.9 149.86 65.64 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.66 0.743 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.77 -51.68 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 31.13 -114.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.521 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.78 133.09 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.446 HD13 ' NE2' ' A' ' 22' ' ' GLN . 4.2 mm? -95.53 -46.3 6.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mp -72.62 -54.06 10.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -42.21 -46.16 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.446 ' NE2' HD13 ' A' ' 19' ' ' LEU . 12.6 pt20 -70.87 129.07 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.525 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 29.9 m-85 -65.84 152.45 44.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 30.1 t80 -119.23 120.59 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.8 t -71.71 157.18 38.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.7 p -102.28 -31.28 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.4 ' HB ' ' SG ' ' A' ' 54' ' ' CYS . 85.2 m -73.13 -62.46 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.0 -46.02 11.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 92.21 40.5 5.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -100.72 179.66 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.47 ' NE2' ' HB1' ' A' ' 8' ' ' ALA . 1.2 m-70 -128.95 139.65 52.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 82.0 m-85 -143.76 124.45 14.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 27.5 m80 -70.3 148.56 48.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.57 -33.18 70.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -47.4 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -53.19 -36.53 61.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 mt -95.15 -22.34 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 74.96 42.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.3 mt -110.86 149.16 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 42' ' ' THR . . . -87.36 97.78 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -46.69 111.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 40' ' ' ALA . 35.3 p -124.83 154.19 70.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 111.154 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 4.11 2.4 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -104.03 -44.93 4.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 46' ' ' ARG . 22.4 mttm -64.73 -53.54 45.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 45' ' ' LYS . 47.2 mtp85 -32.08 -55.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.01 123.07 25.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.56 54.59 32.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.525 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 67.7 t90 -95.42 164.13 12.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 8.1 mt-30 -149.84 137.5 20.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.43 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 3.5 p -76.76 156.73 82.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.6 Cg_endo -69.77 -1.47 8.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 4.2 mm-40 -97.56 -20.83 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.611 ' O ' HG13 ' A' ' 56' ' ' VAL . 96.7 m -112.97 -34.86 5.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -51.07 134.35 26.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 54' ' ' CYS . 3.5 m -138.75 166.78 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 47.3 t -57.23 153.63 11.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -105.28 -21.42 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -78.37 -58.24 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.9 p -98.18 -30.19 12.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 57' ' ' CYS . 37.6 mmtt 66.88 48.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -131.84 108.65 9.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.9 p -76.86 127.45 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.11 -59.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 69' ' ' MET . 3.2 mp0 -86.12 92.29 8.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.66 -58.37 3.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -47.47 -65.67 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -47.43 -48.15 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.605 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 2.9 tpp -45.16 111.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.556 ' CD2' HG13 ' A' ' 91' ' ' VAL . 18.2 mt -79.62 117.93 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.6 t -94.4 130.5 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.2 t -70.05 163.66 25.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 2.0 m-20 -101.43 -25.42 13.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.0 m -92.07 -68.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 16.0 p -80.16 -17.77 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 t70 58.79 46.19 14.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 1.3 mmpt? -93.02 164.76 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.6 128.03 8.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 96.2 m-85 -147.34 114.94 6.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.903 0.382 . . . . 0.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 27.1 m170 -57.79 135.23 56.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 87' ' ' VAL . 37.0 p -48.11 -40.81 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 6.7 p90 -75.04 -26.1 59.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 89.8 m -86.99 25.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.456 HD11 HD12 ' A' ' 70' ' ' LEU . 71.1 mt -108.62 151.05 26.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 44.3 tt0 -128.47 101.92 20.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 54.1 Cg_endo -69.73 -177.06 13.67 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.339 -0.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 82' ' ' PHE . 5.9 t -83.95 150.32 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.434 ' HB2' HD12 ' A' ' 84' ' ' LEU . 14.1 mmm -97.43 141.06 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.45 -42.33 9.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.4 p -135.97 175.23 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 70' ' ' LEU . 58.7 t -103.39 123.73 40.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 106.25 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 p -59.04 -31.46 68.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.415 ' CG ' ' N ' ' A' ' 95' ' ' GLY . 3.7 p-10 -64.92 -48.86 72.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' A' ' 94' ' ' ASN . . . 162.2 142.06 3.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -111.66 153.24 26.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -139.1 117.72 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.1 p -69.33 166.41 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -67.8 -38.08 82.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 100' ' ' ASN . 41.0 t-20 -59.67 -26.39 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 16.4 m -92.47 -53.38 4.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 103' ' ' ILE . 2.3 ptp180 -42.72 -29.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 102' ' ' ARG . 21.3 mm -33.56 140.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 11.9 m 58.99 49.06 10.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 105' ' ' ILE . 13.7 tt -90.12 116.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.6 t -157.23 140.08 15.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.89 155.52 3.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 153.43 68.92 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.6 t -122.39 114.8 21.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.4 m -101.01 108.29 19.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.509 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -57.64 107.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -153.68 160.53 42.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.61 -55.89 0.22 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p 43.78 41.74 3.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -101.8 41.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.19 -135.21 12.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.37 27.27 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.055 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -91.83 172.46 8.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 6.4 t -64.65 130.26 42.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.44 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -86.01 6.0 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.3 t -112.64 -42.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.5 -28.02 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 14.3 t0 71.29 50.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.1 m -141.45 138.74 17.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.76 -50.07 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 36.69 -124.1 0.91 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.57 135.06 37.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.333 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.45 -45.99 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.64 -38.12 89.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -49.31 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.517 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 26.1 pt20 -85.93 150.49 24.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.548 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 70.2 m-85 -81.26 168.26 18.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -136.57 111.13 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.7 t -62.09 157.4 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.6 p -103.87 -37.85 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.5 m -66.44 -62.98 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.4 p -87.83 -41.95 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.51 37.55 6.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 64.8 mm-40 -93.44 165.29 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -119.61 147.17 44.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CB ' HD12 ' A' ' 37' ' ' LEU . 86.6 m-85 -156.93 127.43 6.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.517 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 43.5 m80 -75.92 151.09 37.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.16 -29.95 72.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 36' ' ' CYS . 9.2 ptm -84.37 -34.33 23.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 35' ' ' MET . 12.8 m -66.47 -38.1 86.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 32' ' ' TYR . 12.4 mt -96.97 -18.87 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t0 74.59 43.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mt -111.24 146.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.45 119.95 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.17 119.38 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.3 p -133.96 152.65 78.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.688 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.59 8.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.51 -53.93 3.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' ARG . 27.0 mttp -58.43 -53.0 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . 42.1 mtt180 -33.62 -42.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.66 117.48 7.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 41.53 50.13 4.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 49.1 t90 -70.47 127.06 31.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -105.08 126.81 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.481 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 3.6 p -58.53 158.58 14.69 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.2 Cg_endo -69.87 -3.02 11.25 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -97.84 -11.04 23.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.763 ' O ' HG13 ' A' ' 56' ' ' VAL . 87.6 m -120.57 -42.48 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' CYS . 8.2 pttm -34.4 135.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.814 HG12 ' HB3' ' A' ' 63' ' ' SER . 31.8 m -140.75 172.09 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' LYS . 49.1 t -67.27 108.43 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -66.19 -20.77 66.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.05 -56.61 7.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 25.7 p -105.78 15.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' CYS . 25.2 mmtp 39.66 47.6 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 45.3 mm-40 -146.8 162.87 37.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.814 ' HB3' HG12 ' A' ' 56' ' ' VAL . 12.5 p -129.57 130.97 46.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.74 -118.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -39.13 105.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -70.38 -40.94 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -68.59 -51.24 44.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -59.32 -45.24 91.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.61 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -49.62 146.55 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.79 HD13 ' NE1' ' A' ' 96' ' ' TRP . 8.8 mt -112.41 151.07 30.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.11 140.12 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 6.5 t -88.49 136.89 32.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -88.42 8.09 29.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.7 m -117.81 -61.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.96 -22.06 21.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 13.1 t0 68.57 52.48 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -111.63 172.54 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.43 134.71 12.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.522 ' HB2' ' CH2' ' A' ' 96' ' ' TRP . 48.5 m-85 -147.49 118.71 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.966 0.412 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.61 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 33.3 m170 -65.33 149.88 49.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.501 HG22 HD11 ' A' ' 70' ' ' LEU . 2.4 p -68.52 -19.9 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -110.28 27.27 9.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.8 m -125.39 -17.75 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' PRO . 9.6 mt -78.1 149.21 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -122.23 102.09 40.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.2 Cg_endo -69.77 176.53 32.27 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.328 0.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -88.48 164.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.479 ' HE3' ' HD1' ' A' ' 96' ' ' TRP . 2.4 mmt -100.33 93.3 5.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -46.25 -40.48 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.5 m -130.24 176.71 7.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.9 t -107.18 129.13 24.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.586 0.708 . . . . 0.0 111.208 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 150.9 68.71 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -73.48 94.34 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m120 43.44 43.66 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -150.3 61.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.79 ' NE1' HD13 ' A' ' 70' ' ' LEU . 54.7 t90 -110.12 150.26 28.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -151.43 121.77 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.08 171.64 7.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.789 ' O ' HD12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.85 -56.82 5.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.95 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.487 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 2.5 t-20 -41.41 -25.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 99' ' ' LYS . 22.1 m -96.13 -38.87 9.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 103' ' ' ILE . 5.8 ptt180 -49.26 -30.0 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 99' ' ' LYS . 3.5 mp -45.83 133.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.46 130.45 46.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.4 tt -111.52 145.84 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.8 t -150.45 114.63 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.76 -171.0 39.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.38 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.7 p -119.5 171.15 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 75.7 m -152.88 174.02 14.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.474 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m 59.61 42.14 17.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 p -89.73 -49.21 6.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.82 -134.04 49.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -86.18 89.8 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.804 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -100.25 142.89 31.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.86 117.97 3.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . -93.01 103.24 15.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -110.31 175.51 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 14.0 t -50.63 150.19 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.73 -12.36 23.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -95.71 -56.39 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.41 -31.47 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.459 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.7 t70 74.95 47.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -139.36 151.35 66.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.81 -51.52 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 32.88 -124.62 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.442 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.14 130.37 37.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.0 -38.87 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.69 -53.56 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -50.78 -45.9 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.5 HE21 ' CD2' ' A' ' 33' ' ' HIS . 3.1 pt20 -69.46 156.64 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.601 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 18.7 m-85 -93.02 169.29 10.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -135.65 111.06 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.56 156.56 29.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -100.78 -32.4 10.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.9 m -72.29 -64.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.6 p -86.45 -43.63 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.67 40.22 6.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -93.43 171.54 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 8' ' ' ALA . 18.4 m170 -112.74 139.13 48.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.609 ' HB3' HD12 ' A' ' 37' ' ' LEU . 89.8 m-85 -145.46 121.17 10.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.5 ' CD2' HE21 ' A' ' 22' ' ' GLN . 41.2 m80 -76.71 152.44 35.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.21 -27.1 64.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.7 mmt -87.93 -45.52 10.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.4 m -51.12 -36.45 40.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.609 HD12 ' HB3' ' A' ' 32' ' ' TYR . 12.6 mt -104.03 -0.06 29.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 56.38 41.53 28.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 40' ' ' ALA . 78.0 mt -103.39 151.68 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' N ' HG22 ' A' ' 39' ' ' ILE . . . -98.04 100.8 12.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.8 t -41.33 131.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 45' ' ' LYS . 1.6 t -140.99 146.23 42.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.76 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 tp -103.27 -48.77 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.571 ' H ' HG23 ' A' ' 42' ' ' THR . 54.3 mttt -64.23 -49.92 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 12.9 mtp-105 -32.81 -42.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.74 99.01 12.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.16 50.89 4.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 77.9 t90 -86.3 139.7 30.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.303 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -122.89 135.58 54.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 2.5 p -79.15 157.37 75.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 54.4 Cg_endo -69.75 -3.91 12.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.416 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 15.6 mm-40 -97.44 -16.71 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.673 ' O ' HG13 ' A' ' 56' ' ' VAL . 98.4 m -119.29 -51.27 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.1 pttm -29.51 142.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' ' 63' ' ' SER . 28.4 m -145.15 176.59 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.45 118.93 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -84.41 11.05 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -106.37 -33.23 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 22.8 p -131.71 -1.08 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 52.76 54.14 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.437 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 25.3 mt-30 -145.34 129.93 17.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.831 ' HB2' HG12 ' A' ' 56' ' ' VAL . 43.8 t -117.69 121.96 42.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.91 -64.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.35 80.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -57.78 -57.11 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 p -45.29 -61.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -56.66 -39.06 73.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.6 ttm -58.77 132.49 54.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.852 HD12 HD11 ' A' ' 84' ' ' LEU . 97.5 mt -100.83 119.0 38.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.7 t -92.74 106.5 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.0 t -67.26 159.14 29.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 24.4 t0 -101.05 -41.8 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -62.97 -60.89 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 76' ' ' ASP . 18.3 p -89.66 -45.54 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 33.8 t0 72.06 54.97 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -103.36 -67.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.0 122.27 2.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -146.83 118.49 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -56.19 142.08 38.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.405 ' O ' HG13 ' A' ' 87' ' ' VAL . 28.3 p -49.05 -50.05 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -67.55 -25.42 65.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 54.9 m -83.78 23.63 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.852 HD11 HD12 ' A' ' 70' ' ' LEU . 97.0 mt -117.71 137.08 52.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.455 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 17.2 mt-30 -122.1 105.24 37.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.68 173.83 42.72 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.732 -1.778 . . . . 0.0 112.326 -0.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 81' ' ' THR . 6.2 t -84.42 148.93 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.406 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 45.6 mmm -86.92 92.06 8.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 0.1 OUTLIER -45.47 -38.54 6.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.2 m -124.62 176.23 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.619 HG13 ' HD2' ' A' ' 92' ' ' PRO . 98.6 t -110.25 137.54 20.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.741 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.619 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.7 Cg_endo -69.76 152.18 69.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.3 p -125.64 29.93 5.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 95' ' ' GLY . 53.4 t30 -173.39 108.43 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 94' ' ' ASN . . . 32.31 93.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.59 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 30.4 t90 -81.35 158.57 24.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 13.6 mmtm -131.85 110.26 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.71 147.52 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.863 ' O ' HD12 ' A' ' 103' ' ' ILE . 2.5 ttmm -40.9 -65.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.507 ' O ' HD13 ' A' ' 103' ' ' ILE . 25.3 t-20 -35.93 -29.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' A' ' 99' ' ' LYS . 33.7 m -94.97 -44.82 7.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -40.82 -38.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 99' ' ' LYS . 4.2 mp -38.42 144.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.3 p -101.19 -25.37 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 105' ' ' ILE . 11.2 tt -127.91 81.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.8 p -106.65 129.22 54.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -84.59 152.93 28.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.66 65.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.1 p -74.01 -46.96 40.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.4 p 43.87 42.4 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.196 -0.78 . . . . 0.0 112.479 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 55.5 m -37.49 132.79 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 110.864 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -82.04 135.97 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.77 -80.48 1.07 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.452 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -122.32 131.45 53.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -169.66 152.19 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.17 -168.96 12.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.02 26.98 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -104.61 177.46 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.7 t -67.56 140.01 56.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.698 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -92.41 6.08 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.61 -42.17 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -109.97 -25.29 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 31.5 m-20 68.25 49.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 m -139.91 145.73 43.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.362 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.3 -112.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.64 135.37 50.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD13 ' NE2' ' A' ' 22' ' ' GLN . 4.3 mm? -86.24 -44.68 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -68.06 -52.88 30.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -45.29 -41.79 9.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.554 ' NE2' HD13 ' A' ' 19' ' ' LEU . 14.3 pt20 -84.06 143.22 29.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 53.3 m-85 -75.88 169.86 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -136.29 124.56 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 t -76.83 155.24 33.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 p -101.44 -32.15 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.2 m -72.02 -66.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.8 p -83.42 -41.77 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.73 42.53 5.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.633 ' OE1' ' HB2' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -100.12 177.91 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.942 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 12.4 m-70 -123.9 148.47 46.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.698 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 76.8 m-85 -156.57 122.53 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 40.0 m80 -68.5 168.18 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.21 -26.09 62.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 36' ' ' CYS . 11.9 ptm -88.24 -35.22 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 35' ' ' MET . 1.8 m -60.87 -34.07 74.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.584 HD12 ' HB3' ' A' ' 32' ' ' TYR . 15.1 mt -111.03 -2.19 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 61.62 42.9 10.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -101.32 143.04 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.14 109.78 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.4 t -66.13 106.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.5 p -124.24 152.62 67.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -3.39 11.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.686 2.257 . . . . 0.0 112.396 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.761 HD23 HG22 ' A' ' 74' ' ' THR . 7.1 tp -105.44 -39.51 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 46' ' ' ARG . 35.0 ttmt -65.43 -49.82 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 45' ' ' LYS . 70.8 mtp180 -33.68 -46.56 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.89 132.59 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.88 39.24 89.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.463 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 90.5 t90 -90.25 162.86 15.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.733 0.301 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -158.41 137.46 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 4.2 p -68.69 157.0 89.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.4 Cg_endo -69.8 -1.71 8.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -98.0 -21.94 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 99.7 m -112.53 -33.65 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' C ' HG13 ' A' ' 56' ' ' VAL . 17.4 ttpp -56.37 146.66 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 19.2 m -157.01 169.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.4 t -56.57 153.28 10.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -108.45 -16.55 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -83.61 -46.08 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.5 p -109.79 -28.42 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp 66.27 52.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -135.68 108.68 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.412 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 29.5 p -76.5 166.43 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.31 -84.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.52 83.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -73.65 -53.31 10.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -40.97 -65.88 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -55.24 -42.58 73.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 1.3 tpp -53.03 136.19 35.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 79' ' ' TYR . 3.1 mt -94.8 150.78 19.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.8 t -131.07 98.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.8 t -47.83 164.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -102.89 -32.66 9.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.761 HG22 HD23 ' A' ' 44' ' ' LEU . 27.6 m -84.3 -70.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.79 -20.0 50.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 56.32 53.55 8.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -91.95 -174.36 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.84 117.23 1.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 34.2 m-85 -145.47 118.26 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.899 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.593 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 35.2 m170 -61.33 136.3 58.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.566 HG21 HG22 ' A' ' 91' ' ' VAL . 21.4 p -48.29 -35.27 11.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 14.8 p90 -81.66 -20.52 39.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.2 m -89.3 25.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.53 HD11 ' CD1' ' A' ' 70' ' ' LEU . 80.5 mt -112.85 141.1 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -121.3 104.76 40.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.936 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.8 Cg_endo -69.78 173.1 46.02 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.318 0.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 82' ' ' PHE . 2.9 t -78.2 153.65 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.446 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 4.7 mtt -86.75 108.47 18.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -31.51 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 p -137.56 174.17 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.566 HG22 HG21 ' A' ' 81' ' ' THR . 95.2 t -108.16 130.61 22.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.579 ' HG3' ' CD1' ' A' ' 96' ' ' TRP . 53.3 Cg_endo -69.77 168.56 21.22 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.1 m -134.6 -35.68 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 95' ' ' GLY . 0.9 OUTLIER -86.45 87.41 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 94' ' ' ASN . . . 31.99 91.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.579 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 58.2 t90 -67.07 145.29 55.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -122.94 118.16 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.5 p -72.46 167.6 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 101' ' ' CYS . 18.8 tptm -61.93 -62.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.403 ' O ' HD13 ' A' ' 103' ' ' ILE . 16.9 t-20 -38.87 -25.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 99' ' ' LYS . 13.5 m -93.83 -37.37 11.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 99' ' ' LYS . 2.0 ptm180 -48.79 -24.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.419 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 1.8 mp -48.82 148.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.1 p -67.38 121.14 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.7 tp -97.71 145.03 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -46.98 127.79 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -149.65 175.23 28.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 177.6 5.42 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.7 t -163.39 150.01 12.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.1 p -40.39 151.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.51 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p -104.36 128.14 52.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -125.99 90.12 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.06 100.03 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -162.71 132.99 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -143.14 172.37 12.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.28 -65.02 1.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.597 ' HB1' ' CG ' ' A' ' 31' ' ' HIS . . . -74.53 94.36 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.04 153.76 18.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 17.8 t -60.55 123.67 18.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.919 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -72.97 5.8 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.481 HG23 ' HD1' ' A' ' 32' ' ' TYR . 60.3 t -115.44 -49.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 10' ' ' CYS . 17.4 p -107.24 -21.63 12.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 9.1 m-20 64.76 53.08 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -143.2 139.09 16.25 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.721 0.772 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.79 -52.66 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.06 -109.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.9 m-20 -102.41 129.74 48.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 19' ' ' LEU . 4.0 mm? -95.71 -30.46 13.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.93 -31.17 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.91 37.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 31.9 mt-30 -117.4 116.43 27.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.589 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 53.1 m-85 -66.0 151.0 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -125.06 114.85 19.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.0 t -76.49 156.22 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.3 p -98.41 -32.66 11.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -72.83 -67.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 20.4 p -84.63 -46.34 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 90.45 43.77 4.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -98.66 178.75 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.597 ' CG ' ' HB1' ' A' ' 8' ' ' ALA . 5.8 m80 -122.63 141.75 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.919 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 94.7 m-85 -146.9 144.76 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -81.28 161.6 23.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -76.38 -28.7 59.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.545 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.7 ttt -88.2 -44.94 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.4 m -50.07 -39.36 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.5 HD12 ' HB3' ' A' ' 32' ' ' TYR . 28.3 mt -101.52 8.98 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 52.77 36.9 22.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' GLY . 78.6 mt -101.08 146.48 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 42' ' ' THR . . . -97.76 98.03 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.9 t -48.01 123.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 40' ' ' ALA . 31.0 p -139.74 155.16 71.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 111.122 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 9.74 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.341 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -102.58 -47.4 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 46' ' ' ARG . 4.9 mtmp? -69.98 -52.48 23.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 45' ' ' LYS . 49.8 mtt-85 -30.47 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . -76.7 97.75 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.76 53.06 48.4 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 60.8 t90 -71.62 159.29 34.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.719 0.295 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.456 ' O ' ' CE2' ' A' ' 49' ' ' TRP . 11.6 mt-30 -128.0 140.97 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.587 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.6 p -87.71 157.37 52.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.47 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.6 Cg_endo -69.75 -2.58 10.41 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 23.9 mt-10 -97.53 -18.31 19.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.694 ' O ' HG13 ' A' ' 56' ' ' VAL . 71.4 m -118.73 -43.7 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 54' ' ' CYS . 8.9 ptmm? -30.31 142.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 54' ' ' CYS . 26.0 m -146.81 175.35 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.064 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 37.2 t -72.36 149.21 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 23.5 mm-40 -109.33 -11.57 14.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -85.75 -32.96 21.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.57 -21.82 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 57' ' ' CYS . 24.1 mmtp 63.15 54.81 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.27 128.61 14.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.461 ' HB3' HG12 ' A' ' 56' ' ' VAL . 87.3 p -98.59 124.85 43.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.19 -71.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -81.48 104.01 11.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -82.05 -50.05 9.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.3 p -53.62 -44.65 69.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -83.27 40.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.601 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 2.1 tpp -133.11 139.59 47.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.615 HD21 ' HD2' ' A' ' 92' ' ' PRO . 75.1 mt -108.19 138.75 43.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 81.2 t -110.55 118.98 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 40.2 t -69.36 127.98 34.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.97 24.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 m -132.17 -53.21 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.453 ' HA ' HD12 ' A' ' 44' ' ' LEU . 28.7 p -105.61 -26.84 11.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 72.93 44.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -103.86 102.55 12.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.8 135.46 42.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 28.9 m-85 -146.97 113.92 6.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.936 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.601 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 25.2 m170 -57.74 136.83 56.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.408 ' O ' HG13 ' A' ' 87' ' ' VAL . 10.6 p -47.36 -39.56 15.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 10.7 p90 -76.23 -24.43 54.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.0 m -85.13 25.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 86' ' ' PRO . 97.9 mt -122.27 141.33 51.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -119.74 107.95 39.77 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.74 172.9 46.77 Favored 'Cis proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.374 -0.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 82' ' ' PHE . 2.8 t -80.37 148.42 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.7 mmt -88.49 147.97 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -101.76 -42.5 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.7 p -131.83 171.01 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.63 124.08 54.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.709 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.615 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.2 Cg_endo -69.8 163.25 38.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.6 m -121.35 -46.75 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -49.09 -52.11 27.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 164.69 126.22 0.81 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.447 ' NE1' HD13 ' A' ' 70' ' ' LEU . 71.6 t90 -103.08 147.12 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.57 130.26 19.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 2.4 p -76.51 143.48 40.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 100' ' ' ASN . 17.6 ttmm -41.6 -60.43 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 99' ' ' LYS . 4.4 t-20 -34.99 -36.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' LYS . 62.3 m -89.23 -42.75 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 103' ' ' ILE . 15.9 mtp180 -49.41 -37.12 24.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 102' ' ' ARG . 29.1 mm -32.44 121.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 16.8 t -76.84 98.85 4.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' SER . 10.3 tt -117.34 149.34 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' ILE . 1.7 t -37.83 -47.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 52.31 172.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 129.04 16.92 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.356 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.5 m -58.48 -58.16 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.4 t -95.64 151.81 19.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.807 0.337 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.18 170.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 3.7 t -55.04 129.24 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.762 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -84.97 6.21 26.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG23 ' HD2' ' A' ' 32' ' ' TYR . 91.5 t -111.75 -48.17 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' ASP . 21.2 p -103.7 -27.27 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 21.6 t0 73.9 47.23 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.4 t -140.82 145.97 42.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.641 0.734 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.82 -41.77 3.91 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.68 2.254 . . . . 0.0 112.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 33.6 -129.75 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.92 131.51 42.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.86 -50.76 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.44 -43.18 99.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.26 -49.03 73.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' OE1' ' CB ' ' A' ' 31' ' ' HIS . 25.4 pt20 -82.82 148.65 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 21.4 m-85 -78.99 164.54 24.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -131.28 116.18 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.1 t -66.23 157.08 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.0 p -103.42 -34.47 8.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.9 m -68.41 -65.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.7 p -83.72 -42.32 16.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.96 36.74 5.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -102.02 169.89 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.454 ' CB ' ' OE1' ' A' ' 22' ' ' GLN . 4.9 m170 -125.77 151.18 47.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.762 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 74.9 m-85 -151.85 121.42 6.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -62.71 152.62 35.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.29 -29.64 73.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.0 mmt -82.93 -40.26 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.89 -39.42 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.594 HD12 ' CB ' ' A' ' 32' ' ' TYR . 11.6 mt -102.98 1.24 33.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 56.76 39.79 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -100.38 147.2 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.96 109.34 20.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.75 120.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.2 p -131.42 155.2 81.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.01 15.18 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.527 HD23 HG22 ' A' ' 74' ' ' THR . 19.1 tp -105.16 -43.36 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -57.96 -49.04 78.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -40.31 -56.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.29 117.83 17.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.26 37.81 35.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' A' ' 23' ' ' PHE . 24.8 t90 -81.35 142.54 32.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.709 0.29 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -136.13 125.04 24.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 53' ' ' GLU . 2.4 p -60.57 155.28 50.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -1.5 8.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 5.0 mm-40 -96.86 -24.3 15.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.585 ' O ' HG13 ' A' ' 56' ' ' VAL . 85.3 m -108.17 -35.43 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -47.84 132.04 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 54' ' ' CYS . 17.0 m -130.99 173.38 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 61' ' ' LYS . 51.6 t -74.92 112.55 11.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -72.12 1.16 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -96.19 -49.62 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.7 p -112.79 -21.66 11.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 62.96 54.86 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -139.69 109.71 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 p -83.63 119.87 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.16 -56.32 0.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -78.68 49.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -49.56 -47.7 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -49.08 -54.93 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -83.5 41.49 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 ttt -124.18 112.4 17.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.823 HD12 HD11 ' A' ' 84' ' ' LEU . 94.2 mt -79.76 136.55 36.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.39 110.06 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.9 t -50.61 161.95 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.85 -3.98 25.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.527 HG22 HD23 ' A' ' 44' ' ' LEU . 92.3 m -112.5 -71.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.169 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.42 -32.6 72.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 72.13 46.83 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 7.3 mmmm -108.3 141.08 40.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 79' ' ' TYR . . . -87.05 132.88 11.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 34.3 m-85 -146.3 121.99 10.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.923 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 28.6 m170 -68.08 135.54 52.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.5 p -47.02 -44.48 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 9.2 p90 -72.17 -20.9 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.1 m -95.71 26.06 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.823 HD11 HD12 ' A' ' 70' ' ' LEU . 77.4 mt -112.73 147.23 37.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 46.3 tp60 -123.73 104.01 33.87 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' LEU . 54.1 Cg_endo -69.74 179.73 21.43 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.385 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 t -83.37 149.75 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' LYS . 31.7 mmm -97.9 78.42 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' MET . 34.3 mmtm -35.2 -38.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.1 m -132.98 175.97 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.458 HG13 ' HD2' ' A' ' 92' ' ' PRO . 71.8 t -106.52 133.69 20.14 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.157 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.458 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.0 Cg_endo -69.72 160.02 51.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.8 m -65.83 -64.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -157.96 152.54 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.4 72.72 1.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.55 ' CE2' HD13 ' A' ' 70' ' ' LEU . 67.8 t90 -111.71 150.4 30.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -136.29 150.2 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.8 p -96.52 174.33 6.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HA ' ' CG ' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -73.33 -36.34 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.422 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 75.5 m-20 -66.61 -21.07 66.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' A' ' 103' ' ' ILE . 2.2 m -94.74 -56.32 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -45.63 -21.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 11.5 mm . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.815 0.341 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -103.04 172.28 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.506 ' SG ' HG23 ' A' ' 12' ' ' VAL . 1.8 t -49.97 137.06 17.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.602 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -89.48 5.66 44.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -120.6 -41.15 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.129 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.69 -19.12 13.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 21.0 m-20 61.37 42.85 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.55 143.97 50.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.849 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.1 Cg_endo -69.84 -48.5 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.6 -133.13 0.64 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.86 127.01 38.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.84 -40.34 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.46 -33.13 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.86 -51.09 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.474 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 4.6 pt20 -75.12 136.25 41.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.51 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 66.7 m-85 -73.89 158.19 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.517 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 8.0 t80 -120.9 98.39 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.4 t -46.28 154.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -101.92 -28.69 12.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.3 m -73.98 -65.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.75 -39.73 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.79 41.46 5.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -102.55 170.44 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 63.1 m170 -116.64 139.65 50.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.602 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 78.5 m-85 -145.66 127.94 15.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.474 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 28.6 m170 -70.15 157.2 38.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.17 -20.26 76.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.8 -47.36 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.581 ' C ' HD22 ' A' ' 37' ' ' LEU . 73.2 m -56.22 -17.97 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.581 HD22 ' C ' ' A' ' 36' ' ' CYS . 0.8 OUTLIER -116.67 -3.02 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 62.56 34.69 14.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -100.71 141.07 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 42' ' ' THR . . . -92.39 101.99 14.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -44.96 103.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 40' ' ' ALA . 32.5 p -123.06 153.83 64.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 2.54 3.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.502 ' CD2' HG22 ' A' ' 74' ' ' THR . 12.7 tp -104.95 -38.92 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' ARG . 28.7 mttt -72.86 -49.54 29.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.0 mtt180 -33.99 -42.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.81 107.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.86 56.12 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 64.1 t90 -57.99 142.75 45.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.719 0.295 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -110.27 130.88 55.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.8 p -76.49 158.11 81.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.601 0.715 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.3 Cg_endo -69.75 -9.65 26.64 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -91.29 -17.79 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.1 m -117.04 -17.33 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 139.68 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG12 ' HB2' ' A' ' 63' ' ' SER . 7.6 m -152.8 164.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.536 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.3 t -56.86 152.93 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -109.31 -16.2 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -81.86 -45.64 15.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.6 p -108.23 -26.35 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt 65.84 53.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -152.39 106.65 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.436 ' HB2' HG12 ' A' ' 56' ' ' VAL . 1.5 t -82.56 131.39 35.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.79 -47.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -96.78 87.66 4.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 67' ' ' SER . 2.7 p-10 -65.5 -50.72 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 66' ' ' ASP . 3.8 t -49.29 -62.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.47 -37.35 75.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.1 ttm -55.92 130.01 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 84' ' ' LEU . 15.5 mt -101.86 121.13 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.8 t -97.18 108.81 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.1 t -51.11 163.9 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.02 -18.08 13.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.502 HG22 ' CD2' ' A' ' 44' ' ' LEU . 69.0 m -94.66 -63.48 1.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 20.2 p -85.38 -22.34 28.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t70 66.53 46.32 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 16.5 mmtt -96.44 -174.67 3.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.24 124.3 4.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 21.7 m-85 -146.92 118.1 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 25.8 m80 -65.32 145.83 55.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.7 p -49.11 -51.69 30.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -67.2 -20.11 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 34.0 m -90.38 22.62 3.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.457 HD11 HD12 ' A' ' 70' ' ' LEU . 78.8 mt -111.74 146.21 37.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -125.52 102.56 29.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.9 Cg_endo -69.8 178.44 25.55 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.332 0.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.9 t -83.84 150.69 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.0 mmm -95.7 144.91 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.404 ' N ' ' HE3' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -90.7 -42.43 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.4 p -136.29 178.01 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG13 ' CD2' ' A' ' 70' ' ' LEU . 60.6 t -103.72 114.72 64.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.741 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 139.7 40.57 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.258 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.0 p -101.64 20.12 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -117.21 48.94 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.91 99.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -76.2 158.43 31.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 102' ' ' ARG . 5.2 ttpp -140.51 123.19 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.91 144.63 30.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 100' ' ' ASN . 1.1 tmtp? -38.66 -63.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 99' ' ' LYS . 9.1 t-20 -36.17 -36.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 33.2 m -85.42 -49.62 7.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 103' ' ' ILE . 37.9 mtt180 -42.78 -34.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 102' ' ' ARG . 28.6 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.548 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.803 0.335 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -104.32 158.12 16.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 14' ' ' ASP . 42.2 t -57.8 123.62 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.739 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -74.58 5.61 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -115.09 -38.3 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.63 -19.01 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.0 t70 61.25 53.59 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.2 m -129.9 123.13 20.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.699 0.761 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.73 -8.69 24.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -31.66 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.56 108.96 17.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.7 mt -95.67 -44.92 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.06 -44.84 29.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -48.62 -41.4 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -72.68 160.81 31.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.458 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 5.9 m-85 -96.86 173.62 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -134.97 112.68 10.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.9 t -61.15 154.05 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -102.53 -22.07 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.4 m -81.75 -64.22 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.86 -42.87 12.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.84 36.94 5.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 27.4 mm100 -97.53 176.05 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 1.2 m-70 -132.31 153.48 50.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.739 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 53.1 m-85 -157.45 140.93 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -76.3 145.64 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -63.84 -18.39 61.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.459 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.14 -45.5 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.0 m -55.47 -32.03 62.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 32' ' ' TYR . 14.1 mt -101.82 -4.6 26.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 66.14 37.69 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' GLY . 38.5 mt -100.92 136.01 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 42' ' ' THR . . . -86.23 103.87 15.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -49.44 109.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 40' ' ' ALA . 41.2 p -126.84 154.1 76.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 0.0 111.162 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 4.61 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 75' ' ' CYS . 2.5 tt -102.53 -48.45 4.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' ARG . 47.7 mttt -65.8 -55.29 17.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 74.8 mtp180 -34.76 -50.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.63 105.27 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.47 52.58 12.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.458 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 55.5 t90 -79.81 162.04 25.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.694 0.283 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -149.78 120.27 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.2 p -56.0 156.77 9.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.7 Cg_endo -69.77 -11.8 31.56 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.85 -13.67 41.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 99.0 m -122.77 -20.54 5.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 52' ' ' PRO . 15.9 ptmt -58.64 151.32 21.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 63' ' ' SER . 16.7 m -156.99 168.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 46.2 t -66.91 113.18 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -69.17 -19.55 64.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.406 ' OD1' ' SG ' ' A' ' 57' ' ' CYS . 5.3 m120 -69.16 -60.07 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.6 p -99.25 2.28 45.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' CYS . 43.2 mmtm 54.09 36.34 24.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 27.3 mt-30 -141.66 156.66 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.533 ' HB2' HG12 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -120.82 -175.61 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.31 -79.24 0.37 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -61.39 89.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -72.93 -58.28 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 p -45.48 -47.49 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -71.45 -39.28 71.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.5 ttm -55.35 117.38 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 96' ' ' TRP . 9.5 mt -91.09 118.18 30.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.94 110.05 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.4 t -55.94 163.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.4 -16.35 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.7 m -96.41 -62.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.426 ' HA ' HD22 ' A' ' 44' ' ' LEU . 28.1 p -82.98 -24.81 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.9 t70 63.53 52.12 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -113.86 149.95 34.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -91.41 127.22 8.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -142.98 116.22 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 23.9 m170 -66.75 134.37 52.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.498 HG22 HD11 ' A' ' 70' ' ' LEU . 22.9 p -44.07 -51.21 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 80' ' ' HIS . 24.9 p90 -66.27 -21.73 66.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 80' ' ' HIS . 95.5 m -92.23 20.52 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.495 HD11 ' HZ2' ' A' ' 96' ' ' TRP . 20.1 mt -108.66 146.49 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 14.9 pt20 -126.35 102.96 26.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.8 Cg_endo -69.76 177.67 28.06 Favored 'Cis proline' 0 C--N 1.342 0.235 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.365 -0.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 t -84.43 149.76 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.455 ' HE3' ' HD3' ' A' ' 92' ' ' PRO . 35.7 mmm -90.55 120.6 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -67.58 -36.41 80.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.8 m -156.85 173.88 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 93' ' ' THR . 17.0 t -94.45 128.71 39.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 94' ' ' ASN . 54.0 Cg_endo -69.78 2.35 3.62 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.641 ' H ' HG12 ' A' ' 91' ' ' VAL . 8.4 m 30.26 36.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 92' ' ' PRO . 63.8 t30 -173.32 105.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 46.38 97.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.613 ' CD1' HD22 ' A' ' 70' ' ' LEU . 81.2 t90 -110.59 115.52 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -103.47 131.43 50.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -83.49 169.33 15.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.526 ' O ' HD12 ' A' ' 103' ' ' ILE . 29.0 ttpt -64.37 -64.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -38.45 -26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 99' ' ' LYS . 28.7 m -95.31 -37.21 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -48.92 -33.39 10.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 99' ' ' LYS . 2.4 mp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.617 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -105.29 166.74 10.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' ASP . 13.2 t -50.51 122.16 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.881 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -73.93 4.22 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 t -115.52 -32.2 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 14' ' ' ASP . 10.4 p -130.57 18.69 5.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 13' ' ' CYS . 43.8 m-20 32.24 44.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.28 144.1 51.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.7 0.762 . . . . 0.0 110.843 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' GLY . 54.1 Cg_endo -69.78 -38.11 8.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.634 2.222 . . . . 0.0 112.376 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 36.9 -123.85 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -96.06 138.38 33.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.11 -20.94 18.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 mt -91.35 -34.73 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.63 -44.8 73.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -70.52 158.87 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.59 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 30.2 m-85 -101.19 152.41 20.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -111.65 117.22 32.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.4 t -69.18 150.97 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -97.23 -24.74 15.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.3 m -79.11 -70.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.161 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.24 -45.48 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.84 50.43 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -109.73 165.53 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.617 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 23.4 m170 -112.81 134.98 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.881 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 86.0 m-85 -136.28 124.05 22.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -64.88 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.02 -19.01 60.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.9 mmm -93.31 -51.87 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.2 m -49.59 -28.23 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD13 HD11 ' A' ' 39' ' ' ILE . 12.1 mt -98.83 -22.53 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 72.82 40.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.446 HD11 HD13 ' A' ' 37' ' ' LEU . 49.1 mt -104.71 143.01 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.55 106.45 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.2 t -58.67 101.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.5 p -116.6 153.6 49.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.608 0.718 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 3.09 2.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.706 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -97.39 -37.6 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 28.5 mttt -76.9 -51.26 11.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 14.5 mtp-105 -36.61 -38.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.54 88.28 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.99 47.4 2.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 23' ' ' PHE . 75.4 t90 -85.44 150.88 24.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -133.18 128.55 36.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.22 156.7 87.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.86 33.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -89.69 -7.4 54.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.646 ' O ' HG13 ' A' ' 56' ' ' VAL . 73.2 m -125.82 -53.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 54' ' ' CYS . 12.3 pttm -29.96 143.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 54' ' ' CYS . 16.1 m -146.7 176.17 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.2 t -63.91 154.08 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.46 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 98.5 mm-40 -106.82 -19.83 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -84.18 -48.1 10.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.3 p -104.71 -30.99 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt 65.32 47.5 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -132.46 109.02 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.9 p -76.63 118.72 19.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.1 -62.53 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -81.14 98.2 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.93 -52.58 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.3 p -53.62 -46.18 70.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -87.79 46.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.6 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 1.4 tpp -133.19 99.84 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.567 ' CD1' HG22 ' A' ' 81' ' ' THR . 23.2 mt -68.42 98.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.6 t -77.45 103.42 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 6.2 t -48.21 159.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -99.78 -41.34 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.5 m -68.05 -69.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 18.2 p -77.01 -36.83 56.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 60.28 54.59 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -97.23 -71.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' ' CD1' ' A' ' 79' ' ' TYR . . . 140.06 121.05 1.8 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 14.8 m-85 -146.79 129.05 15.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.935 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.6 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 34.6 m80 -74.64 137.25 42.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 70' ' ' LEU . 23.2 p -53.89 -40.73 66.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' HA ' ' CG2' ' A' ' 87' ' ' VAL . 45.8 p90 -80.07 6.48 11.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -110.37 -1.38 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' PRO . 43.2 mt -91.97 155.07 18.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 3.0 tp-100 -126.46 103.8 25.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.9 Cg_endo -69.78 -177.69 15.13 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.368 -0.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -97.18 144.22 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.8 mmt -80.49 90.8 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -38.95 -39.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.8 m -132.69 174.32 10.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.2 t -104.2 127.77 28.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.668 0.747 . . . . 0.0 111.092 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.525 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.77 -174.62 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.3 m -93.61 -53.78 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -169.14 146.14 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.39 52.3 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -111.57 151.44 28.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HE3' ' C ' ' A' ' 101' ' ' CYS . 14.7 tttp -143.57 125.32 15.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.4 p -72.12 155.65 40.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 101' ' ' CYS . 1.0 OUTLIER -48.99 -58.07 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -45.73 -21.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.457 ' C ' ' HE3' ' A' ' 97' ' ' LYS . 2.7 m -95.85 -43.89 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -53.6 -21.29 6.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.1 mm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.5 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.747 0.308 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -105.96 169.53 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.7 t -51.49 141.28 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.644 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -91.92 4.43 52.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -111.78 -54.95 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.2 p -96.02 -29.31 14.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 74.32 47.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 m -137.05 145.77 51.82 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.686 0.755 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.76 -44.76 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.09 -111.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -111.95 143.96 42.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -91.96 -49.95 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.8 mt -66.45 -37.55 85.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.78 -47.65 67.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' CD ' ' HB3' ' A' ' 31' ' ' HIS . 24.0 pt20 -87.24 155.92 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.485 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 37.8 m-85 -81.53 171.42 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' A' ' 25' ' ' CYS . 17.1 t80 -135.8 118.95 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.485 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 49.7 t -68.96 153.17 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.2 p -101.83 -25.95 13.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.9 m -76.9 -64.52 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 21.3 p -88.74 -46.07 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 99.86 35.88 4.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -93.95 167.52 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.93 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 12.1 m170 -122.43 152.39 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.644 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 74.1 m-85 -157.2 123.9 5.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -73.07 146.06 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.21 -18.29 27.53 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.7 mmt -90.76 -43.27 10.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.02 -25.91 67.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 32' ' ' TYR . 13.5 mt -112.06 -2.84 14.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 58.77 42.14 20.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.5 mt -103.76 142.92 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 42' ' ' THR . . . -84.37 98.7 10.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.5 115.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 40' ' ' ALA . 45.6 p -128.51 151.66 77.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -6.09 17.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -102.93 -49.42 3.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -57.7 -40.44 79.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -44.55 -49.12 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.43 136.79 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.97 50.53 54.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.485 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 67.7 t90 -92.26 143.32 26.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -136.95 123.05 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 1.0 OUTLIER -56.67 157.05 10.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.651 0.739 . . . . 0.0 110.859 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.9 Cg_endo -69.75 -13.44 34.7 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.251 . . . . 0.0 112.394 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -87.65 -10.97 49.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.548 ' O ' HG13 ' A' ' 56' ' ' VAL . 91.7 m -122.69 -51.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.9 pttm -31.96 147.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.701 HG12 ' HB2' ' A' ' 63' ' ' SER . 22.3 m -146.01 166.31 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.54 138.66 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 50.2 mm-40 -91.43 -16.17 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -80.9 -53.17 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 28.3 p -101.56 10.33 40.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 42.17 34.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 60' ' ' CYS . 19.0 mt-30 -134.52 174.92 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.701 ' HB2' HG12 ' A' ' 56' ' ' VAL . 9.1 t -140.86 135.67 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.9 -93.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.8 99.23 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -70.2 -52.28 24.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 t -50.81 -53.27 33.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -65.77 -40.26 91.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.8 ttm -45.63 128.03 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD1' HD11 ' A' ' 84' ' ' LEU . 1.9 mt -89.85 130.73 36.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.8 t -108.82 112.19 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.486 ' HB3' ' N ' ' A' ' 76' ' ' ASP . 12.1 t -55.9 161.81 2.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.01 -30.79 10.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -82.36 -58.13 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.452 ' SG ' ' CD ' ' A' ' 77' ' ' LYS . 12.7 p -101.07 -13.35 18.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.486 ' N ' ' HB3' ' A' ' 72' ' ' CYS . 0.7 OUTLIER 40.2 50.53 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' CD ' ' SG ' ' A' ' 75' ' ' CYS . 11.8 mtpp -78.26 -68.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.51 121.6 2.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 61.0 m-85 -147.08 133.84 20.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.951 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -67.67 168.68 10.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 88' ' ' MET . 0.7 OUTLIER -90.02 -21.94 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -106.62 18.46 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.9 m -116.71 -16.13 10.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.522 ' O ' HG13 ' A' ' 87' ' ' VAL . 10.4 mt -78.14 157.67 29.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 36.9 tt0 -129.09 102.34 19.0 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.5 Cg_endo -69.79 173.64 43.87 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.327 0.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 84' ' ' LEU . 1.3 m -87.75 149.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.494 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 76.8 mtp -94.98 78.15 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' MET . 3.9 mptp? -33.62 -48.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.0 m -116.73 174.31 6.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.685 HG13 ' HD2' ' A' ' 92' ' ' PRO . 96.4 t -109.77 139.31 21.12 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.681 0.753 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.685 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.81 147.61 62.92 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.689 2.26 . . . . 0.0 112.317 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 m -40.66 -63.28 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -168.56 143.68 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.93 68.2 1.06 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -109.11 134.29 51.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -114.78 125.4 53.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.3 p -69.86 163.62 25.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -64.86 -41.66 95.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -59.04 -22.09 60.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.3 m -95.26 -43.03 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -61.63 -13.51 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.596 ' HB1' ' CD2' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.777 0.322 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -44.73 144.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' ASP . 12.6 t -57.17 123.99 17.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -72.37 5.0 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.447 HG21 HD11 ' A' ' 37' ' ' LEU . 94.3 t -115.1 -45.59 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 p -113.5 -17.84 12.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 36.5 t70 61.52 54.38 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 m -140.18 139.59 21.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.77 -51.73 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 30.68 -110.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.49 117.73 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.77 -47.82 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.7 -39.25 93.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.64 -47.61 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 14.5 pt20 -81.07 135.56 35.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.539 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 82.9 m-85 -60.73 172.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -135.72 116.49 14.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.9 t -71.27 154.99 41.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -104.01 -33.36 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.6 m -68.37 -63.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -87.9 -43.76 11.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.06 34.59 5.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -100.72 157.12 16.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' HB1' ' A' ' 8' ' ' ALA . 11.8 m170 -107.53 156.83 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 56.6 m-85 -157.73 121.43 4.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 36.5 m80 -63.11 159.02 18.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.26 -19.68 79.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.3 tpt -94.56 -39.58 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.26 -27.91 49.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD11 HG21 ' A' ' 12' ' ' VAL . 9.8 mp -110.72 4.82 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.1 t70 58.57 36.94 25.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.1 mt -101.66 146.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 42' ' ' THR . . . -91.92 98.66 11.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -46.09 119.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 40' ' ' ALA . 37.7 p -132.76 154.45 81.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.29 2.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -104.51 -48.11 3.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 46' ' ' ARG . 18.0 mtmt -61.54 -54.71 39.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 45' ' ' LYS . 16.3 mtp-105 -34.14 -40.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.28 123.22 26.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.37 54.61 26.12 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.539 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 64.1 t90 -84.69 142.44 29.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.709 0.29 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -128.25 111.56 13.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 2.8 p -46.78 156.75 0.51 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 54.1 Cg_endo -69.79 -3.11 11.36 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.679 2.253 . . . . 0.0 112.377 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 4.1 mm-40 -96.42 -21.39 17.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.9 m -110.87 -32.08 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 4.2 ttpm? -59.52 139.22 57.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.409 HG12 ' HB3' ' A' ' 63' ' ' SER . 19.6 m -138.8 172.47 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 41.5 t -61.82 118.7 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -78.74 7.42 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -107.33 -39.17 5.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.2 p -122.15 -21.57 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.63 53.1 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -133.71 106.97 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.409 ' HB3' HG12 ' A' ' 56' ' ' VAL . 25.7 p -80.79 140.55 35.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.89 -58.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 69' ' ' MET . 2.4 mp0 -85.34 115.02 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.21 -55.01 3.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.1 t -49.75 -59.63 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -58.39 -43.15 88.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 9.1 ttm -53.61 107.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 mt -81.94 111.76 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.6 t -90.29 110.53 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.7 t -55.37 130.69 43.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -81.32 18.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.5 m -122.45 -59.14 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.06 -41.79 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 74.16 51.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 55' ' ' LYS . 40.2 mttt -89.31 -43.96 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.66 118.83 4.43 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.519 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -147.3 122.68 10.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 28.6 m170 -71.97 137.55 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.438 ' HA ' HD12 ' A' ' 84' ' ' LEU . 25.1 p -44.99 -47.54 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 15.6 p90 -70.26 -23.33 62.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 63.1 m -87.57 21.13 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 86' ' ' PRO . 87.4 mt -112.75 137.45 51.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 5.3 tt0 -119.73 105.48 43.22 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.3 Cg_endo -69.83 175.12 38.05 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.303 0.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 t -84.69 149.77 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.419 ' HE1' ' CD1' ' A' ' 96' ' ' TRP . 7.8 mmm -86.71 138.3 31.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -88.91 -40.09 13.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.8 p -134.26 174.91 9.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.86 118.09 61.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.03 22.55 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 78.7 p -110.13 43.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -131.75 -52.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.5 86.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.419 ' CD1' ' HE1' ' A' ' 88' ' ' MET . 52.3 t90 -74.87 147.02 41.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.842 0.353 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -140.26 126.53 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.9 141.48 40.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 100' ' ' ASN . 18.2 tttp -41.73 -61.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 99' ' ' LYS . 14.8 m120 -34.65 -36.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' LYS . 22.4 m -85.94 -47.68 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 103' ' ' ILE . 49.6 mtp180 -46.46 -35.93 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 102' ' ' ARG . 29.1 mm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -104.35 175.93 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.4 t -68.11 130.63 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.648 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -85.76 6.33 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.477 HG21 HD11 ' A' ' 37' ' ' LEU . 88.7 t -111.43 -40.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 p -114.9 -28.27 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 14.0 t70 74.69 48.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.89 142.92 37.89 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.702 0.763 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -51.36 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.96 -116.92 0.62 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -114.0 117.98 32.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -78.62 -45.53 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.47 -40.55 95.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.08 -51.38 69.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -78.28 167.3 21.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.601 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 58.8 m-85 -79.79 162.01 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -136.43 111.09 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t -61.45 156.0 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 p -103.17 -34.97 8.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.177 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.2 m -68.02 -67.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 p -82.43 -34.59 28.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.62 35.95 12.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 16.4 mm100 -96.28 167.43 11.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.504 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 27.1 m170 -125.77 145.26 50.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.648 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 9.0 m-85 -152.07 121.52 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -64.99 162.24 17.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' ASP . . . -73.25 -32.35 60.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ptm -77.85 -27.22 49.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.8 -24.17 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 32' ' ' TYR . 5.6 mp -122.64 -8.84 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 34' ' ' GLY . 32.4 t0 70.86 41.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -102.49 141.2 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.57 116.54 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.8 t -57.83 91.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.44 149.28 35.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 5.2 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.234 . . . . 0.0 112.396 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' C ' HD23 ' A' ' 44' ' ' LEU . 4.7 tt -102.97 -55.9 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 31.9 mttt -56.57 -53.32 58.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -38.8 -47.44 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.44 92.39 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.31 50.57 4.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 37.7 t90 -76.83 166.23 23.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 6.7 mt-30 -153.55 112.67 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 53' ' ' GLU . 1.9 p -50.8 155.58 1.93 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.626 0.727 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.38 16.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.286 . . . . 0.0 112.31 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.41 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.1 mt-10 -95.73 -17.1 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.2 m -115.84 -23.97 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -65.0 141.48 58.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 12.4 m -143.15 175.31 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 43.5 t -64.1 153.17 38.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -107.67 -20.68 13.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -78.08 -51.13 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.8 p -102.4 -30.27 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt 67.12 47.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -137.57 104.33 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.408 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 22.2 p -74.35 142.18 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.46 -65.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -75.78 55.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.53 -47.37 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.9 m -48.5 -51.05 29.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -85.78 38.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.8 ttt -122.42 106.75 11.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.624 HD12 HD11 ' A' ' 84' ' ' LEU . 22.9 mt -75.57 102.26 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.5 t -83.66 107.17 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.2 t -49.21 162.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.434 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 2.3 m-20 -105.36 -34.28 7.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.0 m -77.3 -72.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.418 ' HA ' HD22 ' A' ' 44' ' ' LEU . 13.5 p -80.59 -26.12 38.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t70 67.04 54.52 0.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 35.7 mttm -106.57 119.13 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.0 129.04 40.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.428 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 56.4 m-85 -146.92 114.34 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 33.9 m170 -62.41 137.93 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 87' ' ' VAL . 14.8 p -50.49 -37.19 37.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.588 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.0 p90 -78.01 -27.83 49.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.4 m -84.76 19.26 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.624 HD11 HD12 ' A' ' 70' ' ' LEU . 44.8 mt -101.39 150.14 23.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 32.4 tp60 -128.91 101.79 19.75 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.638 0.733 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.83 179.56 22.11 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.354 0.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 82' ' ' PHE . 3.0 t -85.76 146.46 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 15.7 mmm -93.37 131.15 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -77.02 -40.86 45.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.2 p -138.71 170.33 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -96.43 114.69 64.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.439 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.79 151.84 68.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.1 p -120.96 39.35 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -133.89 31.53 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.96 111.01 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.508 ' CE2' HD13 ' A' ' 70' ' ' LEU . 12.7 t90 -97.42 154.92 17.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.06 117.4 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.4 p -69.44 169.54 12.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.518 ' O ' HD12 ' A' ' 103' ' ' ILE . 10.4 tmtt? -61.15 -65.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.416 ' O ' HD13 ' A' ' 103' ' ' ILE . 2.0 t30 -38.53 -25.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 99' ' ' LYS . 18.5 m -94.88 -39.31 10.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' LYS . 14.6 ptt85 -45.34 -37.83 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 99' ' ' LYS . 2.9 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -135.96 174.16 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.6 t -64.54 143.43 57.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.878 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -94.35 4.52 53.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -113.36 -45.61 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 p -105.67 -28.57 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.8 t0 72.86 46.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -138.53 148.14 57.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.77 -46.69 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.9 -123.22 0.71 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -103.78 138.69 40.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.846 HD13 ' NE2' ' A' ' 22' ' ' GLN . 4.4 mm? -93.42 -32.27 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -71.89 -55.16 8.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -48.77 -45.31 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.846 ' NE2' HD13 ' A' ' 19' ' ' LEU . 13.9 pt20 -72.47 167.54 20.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.442 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 37.5 m-85 -106.33 160.44 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.402 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 9.1 t80 -124.99 108.46 11.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -56.38 154.47 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -100.91 -32.11 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.7 m -70.97 -65.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -86.8 -44.86 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.64 40.39 4.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.47 177.41 5.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 4.0 m-70 -122.78 142.13 51.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.878 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 99.4 m-85 -153.81 125.34 7.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -70.75 157.81 37.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.97 -32.3 80.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ASP . 9.9 ttm -79.76 -53.11 7.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 m -40.59 -41.68 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.634 HD13 ' HB3' ' A' ' 32' ' ' TYR . 9.5 mp -94.56 -17.32 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' MET . 1.7 m-20 70.28 43.73 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.6 mt -107.3 148.11 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.37 110.35 19.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.038 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.26 115.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.3 p -131.25 155.95 80.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.23 2.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 75' ' ' CYS . 4.3 tt -102.68 -49.28 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -62.39 -48.72 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -40.6 -42.54 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.1 100.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.43 46.2 52.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.56 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 67.1 t90 -45.45 155.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.687 0.279 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -125.22 125.66 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 3.4 p -71.9 157.7 89.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.652 0.739 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.76 -5.86 17.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 10.5 mm-40 -96.08 -18.26 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 68.7 m -113.1 -30.05 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -57.91 146.96 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.466 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 13.4 m -157.97 167.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.2 t -56.39 152.86 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -108.01 -18.62 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -83.55 -46.07 12.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.4 p -107.5 -30.81 8.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm 67.34 50.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -135.44 111.69 9.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.6 p -81.45 127.74 33.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.91 -55.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 65' ' ' GLU . 21.4 mp0 -94.86 87.17 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.02 -53.47 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -48.64 -58.69 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -59.74 -41.79 91.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.7 ttm -48.2 124.2 7.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.81 HD21 HG13 ' A' ' 91' ' ' VAL . 6.4 mt -87.59 111.72 21.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.403 ' CG1' ' OD1' ' A' ' 76' ' ' ASP . 89.5 t -86.65 100.38 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.5 t -48.06 125.94 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.73 25.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.8 m -129.43 -49.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.821 ' HA ' HD22 ' A' ' 44' ' ' LEU . 24.1 p -113.59 -28.01 7.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.403 ' OD1' ' CG1' ' A' ' 71' ' ' VAL . 36.4 t70 63.42 53.66 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -88.18 -59.71 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.97 113.27 2.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -146.58 120.68 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.941 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -60.8 177.73 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.0 p -89.88 -25.82 20.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.488 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 3.9 p90 -107.79 23.45 14.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 28.8 m -120.48 -17.04 8.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' PRO . 27.2 mt -77.1 160.33 29.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 5.1 pt20 -130.16 101.11 18.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.79 -178.2 16.26 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.351 -0.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.488 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -91.81 158.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.571 ' HE2' ' CD1' ' A' ' 96' ' ' TRP . 19.0 mmm -102.49 79.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 88' ' ' MET . 40.1 mmtm -32.94 -40.48 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.7 m -138.45 179.46 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.81 HG13 HD21 ' A' ' 70' ' ' LEU . 42.0 t -112.75 121.34 38.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.636 0.731 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 94' ' ' ASN . 53.5 Cg_endo -69.79 -2.51 10.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.79 ' H ' HG12 ' A' ' 91' ' ' VAL . 75.4 p 33.48 35.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 92' ' ' PRO . 4.5 m120 -127.31 45.63 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.39 69.79 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.463 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 88' ' ' MET . 67.6 t90 -70.18 150.78 46.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -129.17 128.9 44.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.2 p -72.22 143.89 48.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.477 ' CE ' HD11 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -40.83 -61.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.419 ' N ' ' HD3' ' A' ' 99' ' ' LYS . 3.0 t-20 -36.47 -38.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.4 m -81.4 -49.41 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 103' ' ' ILE . 9.4 mtp-105 -46.17 -34.67 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.477 HD11 ' CE ' ' A' ' 99' ' ' LYS . 38.1 mm . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.889 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.835 0.35 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -92.84 167.18 12.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 35.9 t -59.4 122.04 12.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.838 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -74.35 5.0 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.35 -40.2 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 p -120.05 -21.5 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' CYS . 41.0 t0 62.54 49.82 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.7 m -128.73 117.19 19.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.8 -7.3 20.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -27.98 -90.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.536 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -91.28 126.46 36.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.6 mm? -94.55 -42.58 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ASP . 7.6 mp -65.01 -53.87 39.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LEU . 1.5 m-20 -37.73 -52.2 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.567 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 2.3 pt20 -76.94 133.4 39.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.574 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 10.1 m-85 -68.12 178.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -133.01 124.09 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.9 t -84.31 154.96 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.5 p -104.35 -32.02 9.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.0 m -69.75 -67.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.5 p -84.52 -43.14 14.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.52 35.87 6.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -102.81 165.24 11.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.889 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 25.5 m170 -116.82 149.79 39.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.838 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 86.3 m-85 -151.46 121.18 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 28.6 m170 -64.07 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.14 -23.81 62.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.5 ttp -87.95 -46.05 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.9 m -52.9 -31.02 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -100.88 1.11 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 61.53 31.41 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.8 mt -107.68 137.0 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.6 102.27 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' CE1' ' A' ' 23' ' ' PHE . 6.7 p -61.79 107.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 23.7 p -105.72 158.17 32.95 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 111.177 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 53.8 Cg_endo -69.69 -4.21 13.52 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.533 HD23 HG22 ' A' ' 74' ' ' THR . 19.2 tp -105.63 -20.21 13.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.698 ' HZ1' ' N ' ' A' ' 74' ' ' THR . 1.1 ttmm -79.21 -53.0 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LYS . 80.1 mtp180 -35.22 -52.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.72 123.87 16.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.37 60.48 4.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 23' ' ' PHE . 70.0 t90 -91.01 141.6 28.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.713 0.292 . . . . 0.0 110.908 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -125.7 109.36 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.6 p -43.85 156.59 0.3 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -10.96 29.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.58 -14.71 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.623 ' O ' HG13 ' A' ' 56' ' ' VAL . 66.6 m -115.64 -53.49 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 54' ' ' CYS . 13.5 pttp -31.9 138.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 54' ' ' CYS . 5.1 m -141.21 178.84 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.3 t -69.55 153.13 43.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -110.05 -15.11 14.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -84.75 -41.88 15.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.2 p -113.46 -27.76 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 67.51 54.83 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 1.3 pt20 -140.41 123.98 17.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.3 p -95.31 114.21 25.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.42 -57.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 77.8 mm-40 -80.0 47.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.98 -61.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.9 m -40.59 -56.05 2.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -62.03 -34.47 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.7 ttm -64.86 126.03 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.512 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 4.5 mp -83.16 144.61 29.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.3 t -111.5 101.93 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 42.0 t -52.79 129.82 31.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.56 24.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.698 ' N ' ' HZ1' ' A' ' 45' ' ' LYS . 27.2 m -130.58 -43.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.07 -38.31 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t70 73.32 54.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -86.4 -68.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.28 116.39 2.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -146.4 122.11 10.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.473 ' CD2' ' HB2' ' A' ' 65' ' ' GLU . 38.1 m80 -59.25 137.69 57.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.463 HG22 HD11 ' A' ' 70' ' ' LEU . 4.7 p -45.04 -47.34 11.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 12.1 p90 -70.66 -23.83 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 39.9 m -83.46 21.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -117.65 142.51 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.453 ' CD ' ' O ' ' A' ' 85' ' ' GLN . 2.5 pp0? -124.23 106.56 30.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.8 Cg_endo -69.81 171.03 55.79 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.351 0.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 88' ' ' MET . 3.2 t -81.83 153.37 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.468 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 94.7 mtp -101.68 100.63 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -47.33 -43.21 22.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.3 p -132.34 177.75 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.571 HG13 ' HD2' ' A' ' 92' ' ' PRO . 79.3 t -108.63 136.15 19.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.0 Cg_endo -69.74 171.34 14.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.723 2.282 . . . . 0.0 112.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.1 t -122.88 -17.4 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -97.21 51.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.11 135.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' A' ' 70' ' ' LEU . 50.4 t90 -108.4 145.03 35.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -126.69 124.54 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.7 167.55 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 102' ' ' ARG . 26.7 tttt -67.57 -59.18 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -40.88 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 99' ' ' LYS . 7.3 m -95.72 -31.15 13.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 99' ' ' LYS . 6.5 ptm180 -51.22 -33.96 30.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.3 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.77 0.319 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -95.59 162.88 13.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.9 t -56.83 120.13 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -72.29 6.36 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -113.48 -53.15 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 19.0 p -102.35 -5.08 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 13' ' ' CYS . 3.5 p30 49.7 41.57 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -138.41 142.32 34.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.651 0.739 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.469 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.75 -51.6 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 32.99 -130.81 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -82.87 117.15 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.28 -29.42 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.65 -28.94 9.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -110.03 35.79 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.461 ' CG ' ' CD2' ' A' ' 33' ' ' HIS . 20.6 mt-30 -113.76 123.56 50.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.6 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 72.7 m-85 -71.33 162.83 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -136.57 115.75 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.8 t -71.35 153.79 42.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.8 p -98.18 -27.24 14.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.8 m -77.18 -65.34 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 p -87.03 -45.14 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.47 40.67 4.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -95.7 175.2 6.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.616 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 6.5 m-70 -126.32 149.93 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 4.4 m-85 -154.4 148.97 26.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CD2' ' CG ' ' A' ' 22' ' ' GLN . 34.1 m80 -89.54 155.37 19.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.8 -29.01 74.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.9 ttm -86.28 -44.04 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.0 m -52.14 -35.08 47.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -110.45 1.09 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 54.69 44.41 28.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -102.21 141.3 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.78 101.83 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.73 122.54 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.8 147.87 50.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.149 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.53 3.43 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.8 tp -103.14 -32.65 9.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 46' ' ' ARG . 27.5 ttmt -83.34 -49.69 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 45' ' ' LYS . 15.5 mtp-105 -33.0 -37.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . -74.46 122.69 23.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.06 60.58 3.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.6 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 49.2 t90 -78.94 147.98 32.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -118.66 112.6 20.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.596 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 2.4 p -63.37 156.85 67.92 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.7 Cg_endo -69.79 -1.87 9.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -98.1 -17.98 18.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.8 m -118.41 -28.11 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HE2' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -53.85 150.02 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 55' ' ' LYS . 27.5 m -160.93 162.63 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 59' ' ' ASN . 41.8 t -67.13 115.55 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.16 -17.97 60.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 57' ' ' CYS . 6.6 m120 -67.76 -54.1 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.1 p -102.89 -12.02 17.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 65.36 48.43 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -141.08 136.14 31.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.478 ' CB ' HG12 ' A' ' 56' ' ' VAL . 81.7 p -83.21 6.72 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.08 -176.27 34.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 42.68 53.6 4.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 69' ' ' MET . 0.9 OUTLIER -64.43 -49.11 72.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -48.45 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' MET . 60.4 mttm -58.29 -41.0 83.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.1 ttt -33.03 132.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.713 HD11 HG22 ' A' ' 81' ' ' THR . 12.9 mt -104.02 107.46 18.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.689 HG22 ' HE2' ' A' ' 55' ' ' LYS . 67.1 t -82.89 114.14 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.51 127.0 29.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.23 26.41 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.4 m -132.01 -47.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.1 p -115.28 -32.98 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 65.04 54.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -88.88 -52.79 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.88 111.84 2.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.538 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -146.44 122.41 10.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.882 0.373 . . . . 0.0 110.93 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 46.8 m170 -66.02 167.93 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.713 HG22 HD11 ' A' ' 70' ' ' LEU . 24.4 p -80.76 -32.85 35.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.161 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -99.23 24.7 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 80' ' ' HIS . 52.8 m -124.89 -22.02 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.552 ' O ' HG13 ' A' ' 87' ' ' VAL . 24.0 mt -69.64 164.99 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 77.9 mt-30 -137.2 101.64 9.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.5 Cg_endo -69.74 174.61 39.79 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.316 0.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -90.09 160.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' LYS . 6.9 mmm -105.99 77.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -35.02 -38.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 p -123.32 173.93 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.655 HG13 ' HD2' ' A' ' 92' ' ' PRO . 99.4 t -109.14 139.16 20.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.655 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.76 176.76 6.34 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.4 m -127.11 -55.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -53.48 -54.4 37.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.16 140.62 3.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.452 ' HB2' ' CG ' ' A' ' 92' ' ' PRO . 40.5 t90 -111.68 158.5 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -153.98 131.45 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.5 p -69.09 168.91 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 47.5 tttt -73.57 -48.98 28.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -48.56 -23.06 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 10.0 m -95.85 -46.78 6.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 103' ' ' ILE . 1.4 ptm180 -47.46 -29.9 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' ARG . 41.2 mm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.811 0.338 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -99.43 176.73 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 6.5 t -69.36 132.36 46.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.596 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -86.91 6.33 32.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -113.29 -43.83 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.3 p -109.29 -27.47 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 9.3 t70 72.51 47.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.5 m -137.45 140.99 32.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.692 0.758 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLY . 54.1 Cg_endo -69.78 -51.12 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.94 -116.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.88 128.67 55.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.23 -40.31 10.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.23 -40.54 96.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -65.54 -46.1 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -78.76 147.41 33.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.553 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 90.5 m-85 -66.57 159.8 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -136.19 119.8 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.4 t -66.69 156.43 35.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -106.76 -30.82 8.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.5 m -71.39 -63.04 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -86.43 -41.43 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.63 39.11 5.07 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 11' ' ' ALA . 18.3 mm100 -97.22 176.99 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -133.95 144.3 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 60.0 m-85 -150.46 121.35 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -67.61 141.12 56.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.78 -35.4 17.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -50.34 16.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.9 m -50.21 -33.73 20.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 37' ' ' LEU . 11.2 mt -97.46 -22.15 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 73.33 42.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.0 mt -113.22 139.94 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.76 103.44 6.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.34 128.54 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.33 151.14 63.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.33 4.54 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.7 HD23 ' CG2' ' A' ' 74' ' ' THR . 14.0 tp -102.44 -45.35 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.3 ttmp? -69.62 -52.5 25.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LYS . 17.5 mtp-105 -34.56 -45.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.08 101.7 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.57 49.74 5.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.553 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 91.4 t90 -83.56 152.61 24.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.698 0.285 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -139.02 134.63 33.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 1.8 p -71.16 157.68 89.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.75 -10.06 27.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.24 -21.98 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.58 ' O ' HG13 ' A' ' 56' ' ' VAL . 88.3 m -110.73 -29.71 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.99 136.47 41.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.799 HG12 ' HB2' ' A' ' 63' ' ' SER . 5.2 m -142.98 151.89 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.1 t -57.72 114.76 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -71.68 -19.17 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 83' ' ' CYS . 8.7 m120 -67.12 -56.36 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 28.6 p -108.7 12.96 25.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm 46.95 53.2 10.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.449 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 58.0 mm-40 -148.75 149.25 31.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.799 ' HB2' HG12 ' A' ' 56' ' ' VAL . 9.3 t -97.03 -10.78 25.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.29 -170.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 40.88 50.06 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' MET . 42.5 m-20 -58.62 -57.92 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.4 m -41.29 -59.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -62.81 -40.25 96.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.402 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 3.7 ttt -42.66 132.11 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.49 HD11 HG22 ' A' ' 81' ' ' THR . 8.7 mt -105.59 111.14 23.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.4 t -88.19 114.36 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.447 ' HB3' ' N ' ' A' ' 76' ' ' ASP . 10.4 t -57.55 164.66 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -103.53 -33.05 9.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.7 ' CG2' HD23 ' A' ' 44' ' ' LEU . 18.5 m -83.24 -65.94 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.8 p -88.18 -16.47 33.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' N ' ' HB3' ' A' ' 72' ' ' CYS . 5.2 m-20 43.62 54.84 5.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.66 -75.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.62 112.3 2.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -146.6 132.13 18.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 110.943 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 22.8 m170 -70.27 153.61 42.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.49 HG22 HD11 ' A' ' 70' ' ' LEU . 19.0 p -61.27 -57.22 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -64.8 -3.68 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 59' ' ' ASN . 26.0 m -101.53 -7.24 22.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' PRO . 67.6 mt -85.75 145.28 27.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 15.5 pt20 -123.24 102.46 36.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.77 177.26 29.49 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.336 0.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.17 143.31 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.8 mmm -73.52 130.14 39.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -68.28 -32.59 72.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.9 m -146.56 172.5 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.98 129.3 27.54 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.427 ' HD2' HD21 ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.77 150.43 68.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.236 . . . . 0.0 112.341 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 94' ' ' ASN . 9.3 t -71.38 -43.2 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.455 ' N ' HG23 ' A' ' 93' ' ' THR . 13.0 t30 -170.55 155.93 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.86 48.98 5.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -101.4 139.82 36.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -132.51 127.86 36.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.25 171.34 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' ARG . 58.5 tttp -63.8 -69.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 99' ' ' LYS . 2.2 t-20 -34.12 -37.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.8 m -75.74 -48.37 22.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 99' ' ' LYS . 5.8 ptt180 -57.29 -29.66 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 102' ' ' ARG . 26.4 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.468 ' HB1' ' NE2' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.807 0.336 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -138.3 162.29 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 14' ' ' ASP . 33.9 t -50.99 121.68 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.594 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -70.4 0.72 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.07 -40.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 14' ' ' ASP . 14.8 p -121.61 20.36 11.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 13' ' ' CYS . 1.3 p30 32.89 41.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.91 143.99 49.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.653 0.739 . . . . 0.0 110.867 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -44.28 2.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.7 -142.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -73.27 130.22 39.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -90.97 -27.51 18.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.3 mt -85.5 -55.57 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -49.36 -42.31 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.15 171.62 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.585 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 42.6 m-85 -109.74 150.57 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 25' ' ' CYS . 14.8 t80 -122.42 113.72 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.429 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 48.9 t -64.54 154.59 35.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.3 p -100.42 -28.84 12.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.7 m -74.78 -62.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 p -89.26 -45.47 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.13 41.65 5.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -91.73 178.87 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.468 ' NE2' ' HB1' ' A' ' 8' ' ' ALA . 7.0 m-70 -124.09 131.32 53.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 93.3 m-85 -143.26 122.65 13.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -69.64 166.46 19.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.01 -22.7 62.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.8 mmt -94.82 -39.01 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 m -56.46 -35.94 68.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.496 HD12 ' HB3' ' A' ' 32' ' ' TYR . 13.1 mt -100.08 -0.58 38.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 60.93 40.45 15.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.7 mt -106.45 141.27 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.17 106.26 15.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.4 124.96 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.404 ' CG2' ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -140.1 147.16 49.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.537 0.684 . . . . 0.0 111.15 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 1.26 4.61 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' CD2' HG22 ' A' ' 74' ' ' THR . 9.3 tp -101.48 -33.54 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' CE ' ' HB2' ' A' ' 76' ' ' ASP . 38.0 mttp -82.24 -55.61 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LYS . 61.4 mtp180 -33.78 -55.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.0 107.69 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.12 49.9 49.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.585 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 84.6 t90 -82.11 160.73 23.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.666 0.27 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 13.3 mt-30 -138.21 138.23 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.538 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.9 p -78.18 156.32 79.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.6 Cg_endo -69.79 -3.64 12.43 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 7.0 mm-40 -96.09 -15.02 22.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.593 ' O ' HG13 ' A' ' 56' ' ' VAL . 86.9 m -121.01 -45.35 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 54' ' ' CYS . 18.2 ptmt -29.87 143.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 54' ' ' CYS . 17.0 m -144.26 175.91 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.1 t -69.34 151.46 46.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -104.68 -13.37 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -88.05 -46.7 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.7 p -103.14 -31.72 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt 67.98 44.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -138.39 112.2 8.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.9 p -73.5 129.21 37.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -177.66 -58.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -96.1 109.21 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.7 -54.63 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.8 m -47.07 -62.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -57.41 -40.59 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.509 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 12.4 ttm -55.43 115.34 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.9 mt -71.04 140.28 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.4 t -113.01 100.72 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.62 163.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -107.43 -25.63 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.484 HG22 ' CD2' ' A' ' 44' ' ' LEU . 33.1 m -86.87 -59.32 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 19.2 p -84.79 -27.47 26.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.487 ' HB2' ' CE ' ' A' ' 45' ' ' LYS . 26.5 t70 65.5 53.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -117.61 173.63 6.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.22 134.74 12.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -146.53 113.24 6.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 34.4 m170 -68.0 147.07 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.525 ' C ' HG23 ' A' ' 87' ' ' VAL . 35.4 p -62.7 -53.82 48.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -60.56 -29.97 69.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 80' ' ' HIS . 12.2 m -69.06 -24.36 64.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' PRO . 59.8 mt -75.66 144.02 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 2.6 pt20 -125.62 103.5 28.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.6 Cg_endo -69.78 -179.14 18.37 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.349 -0.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.525 HG23 ' C ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -97.84 141.93 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.494 ' O ' HG22 ' A' ' 87' ' ' VAL . 6.2 mmm -63.44 165.81 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -109.8 -41.53 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.9 m -132.69 177.34 7.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.1 t -107.34 120.45 47.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -173.83 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.629 2.22 . . . . 0.0 112.359 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 93' ' ' THR . 7.0 t -116.61 103.27 10.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 93' ' ' THR . 68.4 m-80 33.02 43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -149.93 44.41 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -110.89 155.59 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -139.18 119.4 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' CYS . 15.1 p -71.45 146.79 48.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -46.41 -31.93 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.65 -32.47 72.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 98' ' ' CYS . 9.3 m -89.04 -50.29 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 103' ' ' ILE . 19.4 ptt180 -42.99 -30.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 102' ' ' ARG . 23.0 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -96.03 175.64 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.532 ' SG ' HG23 ' A' ' 12' ' ' VAL . 1.7 t -58.96 141.04 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.67 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -94.77 5.95 50.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.582 HG21 ' HB3' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -120.69 -33.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.11 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 p -117.04 -18.14 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 5.1 t70 60.94 44.2 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.93 144.15 52.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.76 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.58 -119.22 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.489 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 17.3 m-20 -105.69 114.25 28.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.83 -42.77 57.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.91 -32.76 74.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 18' ' ' ASP . 85.7 m-20 -70.48 -44.96 66.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 15.4 pt20 -76.99 135.17 38.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.531 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 38.1 m-85 -63.18 161.34 13.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -133.88 103.68 5.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.2 t -58.14 150.81 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.9 p -100.5 -29.24 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -71.23 -64.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -84.41 -39.08 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.97 36.44 6.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 11' ' ' ALA . 29.5 mm100 -100.72 170.53 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.586 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 3.6 m-70 -130.94 151.56 51.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 4.1 m-85 -153.55 133.03 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.456 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 33.1 m80 -72.58 138.05 46.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.66 -19.14 12.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 36' ' ' CYS . 4.6 ppp? -93.46 -43.4 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.582 ' HB3' HG21 ' A' ' 12' ' ' VAL . 52.7 m -56.09 -35.02 66.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD12 ' CB ' ' A' ' 32' ' ' TYR . 13.6 mt -105.86 -11.02 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 70.67 37.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -100.81 137.5 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.15 119.48 25.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.22 115.87 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -125.78 154.64 73.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.68 29.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.467 HD23 HG22 ' A' ' 74' ' ' THR . 14.5 tp -91.25 -51.23 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' ARG . 42.5 mttt -57.68 -60.99 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' LYS . 58.5 mtp85 -35.15 -41.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 73.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 81.73 36.74 18.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.56 ' CZ2' ' HA ' ' A' ' 51' ' ' CYS . 49.5 t90 -40.12 159.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.713 0.292 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -135.35 109.16 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.9 p -55.24 156.0 8.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.46 14.08 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -95.23 -19.65 19.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.559 ' O ' HG13 ' A' ' 56' ' ' VAL . 95.4 m -113.06 -26.56 8.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -53.22 138.21 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 54' ' ' CYS . 15.1 m -144.64 175.77 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 52.8 t -69.47 149.95 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -105.58 -21.66 13.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -73.53 -48.82 30.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 p -103.36 -12.14 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 1.9 mmmp? 56.86 54.96 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 61' ' ' LYS . 81.5 mm-40 -154.37 158.6 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 p -112.72 120.07 40.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.18 -117.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -47.94 108.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.22 -50.43 6.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -49.1 -44.17 41.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -96.3 38.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.475 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 1.6 ttt -118.42 105.72 11.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.507 HD12 ' CD1' ' A' ' 84' ' ' LEU . 90.8 mt -64.73 130.31 43.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.8 t -113.64 111.03 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.9 t -51.85 161.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.55 -35.25 8.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.467 HG22 HD23 ' A' ' 44' ' ' LEU . 50.1 m -75.46 -71.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.0 p -77.63 -32.13 53.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 70.77 54.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 21.0 mttm -112.06 139.47 47.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.38 137.23 25.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.506 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 81.4 m-85 -147.19 113.81 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.478 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 36.7 m80 -67.86 149.14 50.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 87' ' ' VAL . 18.3 p -65.55 -49.53 68.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -68.78 -1.87 8.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 m -99.95 -14.26 18.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD1' HD12 ' A' ' 70' ' ' LEU . 92.4 mt -89.35 141.23 28.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 48.2 tt0 -118.99 107.15 42.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.76 175.86 34.87 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.38 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -92.18 136.14 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.3 mmm -75.41 143.38 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -87.51 -36.75 17.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 62.3 m -142.38 170.58 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.3 t -95.99 118.62 65.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.46 11.11 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.7 p -91.6 41.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -128.18 -57.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.41 109.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -107.37 140.8 39.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -128.32 128.38 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.6 p -74.5 147.57 41.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.86 ' O ' HD12 ' A' ' 103' ' ' ILE . 29.3 tptt -43.99 -63.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.52 ' O ' HD13 ' A' ' 103' ' ' ILE . 4.5 m-80 -38.16 -26.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' LYS . 9.9 m -94.4 -46.62 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 103' ' ' ILE . 56.4 mtp180 -40.15 -43.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 99' ' ' LYS . 4.2 mp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HB1' ' NE2' ' A' ' 31' ' ' HIS . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -129.34 178.39 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 18.0 t -63.76 144.17 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.596 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -94.07 5.33 52.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -116.29 -49.33 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -101.4 -19.51 15.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 63.99 47.05 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -143.22 149.3 47.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.49 -128.65 5.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' OD2' ' OD2' ' A' ' 21' ' ' ASP . 7.1 t0 -102.85 102.8 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.45 -23.51 66.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.73 -27.85 69.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD2' ' OD2' ' A' ' 18' ' ' ASP . 7.1 m-20 -108.68 31.25 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.525 ' CG ' ' CD2' ' A' ' 33' ' ' HIS . 16.3 mt-30 -118.32 133.27 56.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.59 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 65.5 m-85 -83.22 138.71 33.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -112.91 139.47 48.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.8 t -95.11 149.94 20.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.1 p -97.1 -22.61 16.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 m -80.6 -70.79 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 19.6 p -83.09 -46.58 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.428 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 98.69 44.83 2.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' OE1' ' HB2' ' A' ' 11' ' ' ALA . 4.6 mm-40 -100.67 172.37 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.597 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 3.4 m-70 -126.11 149.9 48.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 15.2 m-85 -153.84 138.65 17.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CD2' ' CG ' ' A' ' 22' ' ' GLN . 49.9 m80 -83.14 150.6 26.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.77 -26.54 65.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.2 mmt -89.96 -37.89 14.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.333 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.7 m -58.06 -35.07 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' A' ' 32' ' ' TYR . 15.6 mt -107.81 -9.8 15.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 70.78 38.52 1.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.8 mt -101.22 138.18 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.06 106.25 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.607 HG11 ' NH2' ' A' ' 46' ' ' ARG . 95.1 t -50.81 122.3 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 p -138.91 155.04 73.2 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.575 0.702 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 3.58 2.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.307 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.3 tp -102.49 -51.3 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' ARG . 17.7 mtmt -61.53 -57.81 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.607 ' NH2' HG11 ' A' ' 41' ' ' VAL . 67.2 mtt180 -34.59 -44.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.96 85.19 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.99 37.38 1.85 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 64.8 t90 -88.23 141.22 28.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.73 0.3 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -130.83 108.67 10.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.571 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.6 p -41.05 157.15 0.2 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.5 Cg_endo -69.8 -7.08 20.17 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -96.07 -9.99 29.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.5 m -125.66 -23.76 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.645 ' NZ ' HG13 ' A' ' 71' ' ' VAL . 18.8 ptmt -51.89 152.0 3.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 55' ' ' LYS . 30.4 m -158.53 168.03 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 17.6 t -55.92 152.57 9.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 76.7 mm-40 -104.56 -14.17 15.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -87.19 -56.34 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 22.6 p -95.29 -25.29 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.37 47.99 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -136.48 126.25 25.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 p -89.15 128.5 35.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.42 120.48 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' SER . 9.2 p-10 -96.98 -61.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' ASP . 56.7 m -37.78 -62.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.0 -40.92 77.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.2 ttm -50.96 116.15 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 mt -84.84 103.92 14.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.645 HG13 ' NZ ' ' A' ' 55' ' ' LYS . 94.9 t -76.55 115.59 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.4 t -65.6 163.8 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -104.56 -38.17 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 m -73.58 -60.03 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.08 -27.2 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.84 42.67 28.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' HE3' ' A' ' 55' ' ' LYS . 8.7 mptt -85.35 -65.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.16 124.67 2.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 36.6 m-85 -146.88 125.38 12.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 30.2 m170 -63.49 170.95 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 87' ' ' VAL . 18.3 p -80.97 -28.2 35.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.48 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -103.93 25.83 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.5 m -124.0 -16.97 6.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' PRO . 23.4 mt -78.79 152.02 31.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 17.6 pt20 -123.91 101.64 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.2 Cg_endo -69.77 175.88 34.84 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.294 0.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -85.46 159.99 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 89' ' ' LYS . 7.5 mmm -102.98 70.66 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -35.57 -34.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' MET . 58.2 m -126.05 174.83 8.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 92' ' ' PRO . 86.3 t -109.75 137.53 20.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.667 0.746 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.603 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.7 174.08 9.99 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.3 m -86.22 -63.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.47 140.78 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.72 65.83 1.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -107.4 158.05 17.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -148.42 125.18 11.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -72.18 156.58 39.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 102' ' ' ARG . 13.6 tttp -52.84 -61.09 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -40.05 -23.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' LYS . 9.3 m -95.99 -33.26 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.9 ptp180 -54.33 -26.06 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 99' ' ' LYS . 2.0 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.489 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -70.01 145.23 51.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -50.98 125.93 14.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.616 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -74.2 5.35 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 t -116.33 -37.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 14' ' ' ASP . 14.4 p -124.21 19.26 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 13' ' ' CYS . 29.1 t70 33.01 42.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.95 142.1 44.19 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.684 0.755 . . . . 0.0 110.864 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.54 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.45 -117.71 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -108.38 125.38 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.625 HD23 HE21 ' A' ' 22' ' ' GLN . 39.6 mt -88.07 -49.11 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.1 mm? -64.12 -25.12 67.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.77 -36.49 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.625 HE21 HD23 ' A' ' 19' ' ' LEU . 14.1 pt20 -84.61 149.04 26.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.593 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 31.1 m-85 -75.46 157.62 33.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -130.54 105.48 7.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.0 t -51.32 146.74 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.1 p -102.07 -16.59 16.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -83.51 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.4 p -84.29 -39.56 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.27 30.23 7.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.435 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 9.0 mm-40 -95.51 159.56 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.489 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 2.2 m80 -120.97 134.66 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 68.5 m-85 -136.25 129.71 31.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -60.21 162.39 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -82.11 -21.82 60.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ttp -95.34 -44.13 7.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.4 m -52.67 -28.36 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 37' ' ' LEU . 14.9 mt -107.05 -6.02 17.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 70.57 33.55 2.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' GLY . 60.3 mt -102.63 136.73 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.22 118.56 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.29 97.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.6 p -115.3 155.38 47.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.93 2.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.699 ' O ' HD23 ' A' ' 44' ' ' LEU . 3.6 tt -101.84 -50.17 3.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 13.2 mtmt -62.87 -56.12 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 mtp-105 -39.97 -34.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.02 81.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.0 42.8 35.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 85.5 t90 -63.11 134.53 56.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -115.72 123.82 49.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.591 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.1 p -50.63 158.89 0.99 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.4 Cg_endo -69.79 -11.09 30.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 7.2 mm-40 -89.31 -16.52 30.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 80.6 m -114.16 -24.72 8.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.69 ' NZ ' HG13 ' A' ' 71' ' ' VAL . 8.5 tttt -68.42 140.03 55.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 11.0 m -157.42 169.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 45.3 t -55.61 126.07 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -86.28 -2.0 58.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -89.2 -53.52 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.5 p -105.27 2.24 28.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 49.83 54.89 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -147.33 160.16 42.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 54.5 p -118.44 20.79 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 63' ' ' SER . . . -53.72 -106.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 69' ' ' MET . 15.9 mm-40 -45.16 114.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' MET . 1.1 p-10 -97.5 -45.52 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.9 t -59.14 -60.46 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -58.21 -38.87 77.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 5.0 ttm -41.56 103.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.684 HD21 ' HD2' ' A' ' 92' ' ' PRO . 15.7 mt -68.77 105.65 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.69 HG13 ' NZ ' ' A' ' 55' ' ' LYS . 84.1 t -88.99 108.12 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.9 t -58.13 158.76 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -102.97 -40.32 6.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.678 HG22 HD13 ' A' ' 44' ' ' LEU . 31.8 m -64.88 -65.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.59 ' HA ' HD22 ' A' ' 44' ' ' LEU . 20.4 p -86.05 -42.1 14.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 72.68 49.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 25.2 mmmt -87.04 -71.3 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 124.26 115.18 2.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -146.7 132.7 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.929 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 19.8 m170 -73.11 143.65 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.7 p -50.56 -51.39 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 34.5 p90 -67.64 -16.35 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.503 ' SG ' ' CE1' ' A' ' 82' ' ' PHE . 75.1 m -95.99 18.65 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.8 mt -113.19 153.57 28.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 14.0 pt20 -129.52 104.08 17.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.639 0.733 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.73 178.77 24.22 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.318 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 88' ' ' MET . 2.8 t -85.15 155.21 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.479 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 18.8 mmm -102.28 69.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -38.76 -27.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 88' ' ' MET . 72.5 m -128.62 173.76 10.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' ' 92' ' ' PRO . 57.5 t -107.0 134.99 19.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.684 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.83 115.82 4.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 94' ' ' ASN . 76.3 p -34.07 -51.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 93' ' ' THR . 10.2 m120 -171.82 166.69 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.73 60.14 7.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 72.3 t90 -106.93 150.07 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -142.46 127.67 18.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.8 p -70.15 148.94 48.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -48.65 -52.04 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -48.09 -21.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.0 m -94.93 -47.87 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 103' ' ' ILE . 3.5 ptm180 -50.56 -31.87 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 102' ' ' ARG . 11.0 mm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.47 ' HB1' ' NE2' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.796 0.332 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -132.45 176.88 8.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 34.5 t -70.52 137.08 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.641 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -86.78 5.43 36.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.6 t -113.94 -55.71 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 p -97.38 -25.63 15.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 29.7 m-20 70.72 47.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.9 m -137.9 149.86 65.64 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.66 0.743 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.77 -51.68 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 31.13 -114.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.521 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.78 133.09 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.446 HD13 ' NE2' ' A' ' 22' ' ' GLN . 4.2 mm? -95.53 -46.3 6.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mp -72.62 -54.06 10.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -42.21 -46.16 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.446 ' NE2' HD13 ' A' ' 19' ' ' LEU . 12.6 pt20 -70.87 129.07 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.525 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 29.9 m-85 -65.84 152.45 44.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 30.1 t80 -119.23 120.59 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.8 t -71.71 157.18 38.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.7 p -102.28 -31.28 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.4 ' HB ' ' SG ' ' A' ' 54' ' ' CYS . 85.2 m -73.13 -62.46 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.0 -46.02 11.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 92.21 40.5 5.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -100.72 179.66 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.47 ' NE2' ' HB1' ' A' ' 8' ' ' ALA . 1.2 m-70 -128.95 139.65 52.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 82.0 m-85 -143.76 124.45 14.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 27.5 m80 -70.3 148.56 48.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.57 -33.18 70.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -47.4 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -53.19 -36.53 61.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 mt -95.15 -22.34 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 74.96 42.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.3 mt -110.86 149.16 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 42' ' ' THR . . . -87.36 97.78 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -46.69 111.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 40' ' ' ALA . 35.3 p -124.83 154.19 70.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 111.154 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 4.11 2.4 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -104.03 -44.93 4.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 46' ' ' ARG . 22.4 mttm -64.73 -53.54 45.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 45' ' ' LYS . 47.2 mtp85 -32.08 -55.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.01 123.07 25.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.56 54.59 32.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.525 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 67.7 t90 -95.42 164.13 12.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 8.1 mt-30 -149.84 137.5 20.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.43 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 3.5 p -76.76 156.73 82.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.6 Cg_endo -69.77 -1.47 8.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 4.2 mm-40 -97.56 -20.83 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.611 ' O ' HG13 ' A' ' 56' ' ' VAL . 96.7 m -112.97 -34.86 5.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -51.07 134.35 26.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 54' ' ' CYS . 3.5 m -138.75 166.78 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 47.3 t -57.23 153.63 11.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -105.28 -21.42 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -78.37 -58.24 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.9 p -98.18 -30.19 12.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 57' ' ' CYS . 37.6 mmtt 66.88 48.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -131.84 108.65 9.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.9 p -76.86 127.45 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.11 -59.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 69' ' ' MET . 3.2 mp0 -86.12 92.29 8.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.66 -58.37 3.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -47.47 -65.67 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -47.43 -48.15 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.605 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 2.9 tpp -45.16 111.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.556 ' CD2' HG13 ' A' ' 91' ' ' VAL . 18.2 mt -79.62 117.93 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.6 t -94.4 130.5 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.2 t -70.05 163.66 25.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 2.0 m-20 -101.43 -25.42 13.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.0 m -92.07 -68.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 16.0 p -80.16 -17.77 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 t70 58.79 46.19 14.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 1.3 mmpt? -93.02 164.76 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.6 128.03 8.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 96.2 m-85 -147.34 114.94 6.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.903 0.382 . . . . 0.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 27.1 m170 -57.79 135.23 56.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 87' ' ' VAL . 37.0 p -48.11 -40.81 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 6.7 p90 -75.04 -26.1 59.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 89.8 m -86.99 25.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.456 HD11 HD12 ' A' ' 70' ' ' LEU . 71.1 mt -108.62 151.05 26.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 44.3 tt0 -128.47 101.92 20.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 54.1 Cg_endo -69.73 -177.06 13.67 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.339 -0.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 82' ' ' PHE . 5.9 t -83.95 150.32 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.434 ' HB2' HD12 ' A' ' 84' ' ' LEU . 14.1 mmm -97.43 141.06 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.45 -42.33 9.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.4 p -135.97 175.23 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 70' ' ' LEU . 58.7 t -103.39 123.73 40.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 106.25 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 p -59.04 -31.46 68.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.415 ' CG ' ' N ' ' A' ' 95' ' ' GLY . 1.8 p30 -64.92 -48.86 72.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' A' ' 94' ' ' ASN . . . 162.2 142.06 3.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -111.66 153.24 26.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -139.1 117.72 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.1 p -69.33 166.41 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -67.8 -38.08 82.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 100' ' ' ASN . 41.0 t-20 -59.67 -26.39 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 16.4 m -92.47 -53.38 4.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 103' ' ' ILE . 2.3 ptp180 -42.72 -29.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 102' ' ' ARG . 21.3 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.794 0.33 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -91.83 172.46 8.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 6.4 t -64.65 130.26 42.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.455 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . . . -86.01 6.0 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.3 t -112.64 -42.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.5 -28.02 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 14.3 t0 71.29 50.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.1 m -141.45 138.74 17.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.76 -50.07 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 36.69 -124.1 0.91 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.57 135.06 37.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.333 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.45 -45.99 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.64 -38.12 89.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -49.31 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.517 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 26.1 pt20 -85.93 150.49 24.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.548 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 70.2 m-85 -81.26 168.26 18.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -136.57 111.13 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.7 t -62.09 157.4 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.6 p -103.87 -37.85 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.5 m -66.44 -62.98 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.4 p -87.83 -41.95 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.51 37.55 6.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 22.5 mm100 -93.44 165.29 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -119.61 147.17 44.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CB ' HD12 ' A' ' 37' ' ' LEU . 86.6 m-85 -156.93 127.43 6.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.517 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 43.5 m80 -75.92 151.09 37.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.16 -29.95 72.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 36' ' ' CYS . 9.2 ptm -84.37 -34.33 23.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 35' ' ' MET . 12.8 m -66.47 -38.1 86.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 32' ' ' TYR . 12.4 mt -96.97 -18.87 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t0 74.59 43.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mt -111.24 146.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.45 119.95 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.17 119.38 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.3 p -133.96 152.65 78.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.688 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.59 8.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.51 -53.93 3.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' ARG . 27.0 mttp -58.43 -53.0 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . 42.1 mtt180 -33.62 -42.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.66 117.48 7.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 41.53 50.13 4.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 49.1 t90 -70.47 127.06 31.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -105.08 126.81 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.481 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 3.6 p -58.53 158.58 14.69 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.2 Cg_endo -69.87 -3.02 11.25 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -97.84 -11.04 23.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.763 ' O ' HG13 ' A' ' 56' ' ' VAL . 87.6 m -120.57 -42.48 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' CYS . 8.2 pttm -34.4 135.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.814 HG12 ' HB3' ' A' ' 63' ' ' SER . 31.8 m -140.75 172.09 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' LYS . 49.1 t -67.27 108.43 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -66.19 -20.77 66.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.05 -56.61 7.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 25.7 p -105.78 15.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' CYS . 25.2 mmtp 39.66 47.6 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 45.3 mm-40 -146.8 162.87 37.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.814 ' HB3' HG12 ' A' ' 56' ' ' VAL . 12.5 p -129.57 130.97 46.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.74 -118.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -39.13 105.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -70.38 -40.94 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -68.59 -51.24 44.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -59.32 -45.24 91.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.61 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -49.62 146.55 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.79 HD13 ' NE1' ' A' ' 96' ' ' TRP . 8.8 mt -112.41 151.07 30.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.11 140.12 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 6.5 t -88.49 136.89 32.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -88.42 8.09 29.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.7 m -117.81 -61.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.96 -22.06 21.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 13.1 t0 68.57 52.48 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -111.63 172.54 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.43 134.71 12.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.522 ' HB2' ' CH2' ' A' ' 96' ' ' TRP . 48.5 m-85 -147.49 118.71 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.966 0.412 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.61 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 33.3 m170 -65.33 149.88 49.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.501 HG22 HD11 ' A' ' 70' ' ' LEU . 2.4 p -68.52 -19.9 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -110.28 27.27 9.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.8 m -125.39 -17.75 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' PRO . 9.6 mt -78.1 149.21 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -122.23 102.09 40.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.2 Cg_endo -69.77 176.53 32.27 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.328 0.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -88.48 164.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.479 ' HE3' ' HD1' ' A' ' 96' ' ' TRP . 2.4 mmt -100.33 93.3 5.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -46.25 -40.48 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.5 m -130.24 176.71 7.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.9 t -107.18 129.13 24.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.586 0.708 . . . . 0.0 111.208 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 150.9 68.71 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -73.48 94.34 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m120 43.44 43.66 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -150.3 61.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.79 ' NE1' HD13 ' A' ' 70' ' ' LEU . 54.7 t90 -110.12 150.26 28.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -151.43 121.77 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.08 171.64 7.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.789 ' O ' HD12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.85 -56.82 5.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.95 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.487 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 2.5 t-20 -41.41 -25.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 99' ' ' LYS . 22.1 m -96.13 -38.87 9.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 103' ' ' ILE . 5.8 ptt180 -49.26 -30.0 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 99' ' ' LYS . 3.5 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.743 0.306 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -110.31 175.51 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 14.0 t -50.63 150.19 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.73 -12.36 23.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -95.71 -56.39 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.41 -31.47 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.459 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.7 t70 74.95 47.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -139.36 151.35 66.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.81 -51.52 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 32.88 -124.62 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.442 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.14 130.37 37.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.0 -38.87 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.69 -53.56 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -50.78 -45.9 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.5 HE21 ' CD2' ' A' ' 33' ' ' HIS . 3.1 pt20 -69.46 156.64 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.601 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 18.7 m-85 -93.02 169.29 10.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -135.65 111.06 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.56 156.56 29.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -100.78 -32.4 10.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.9 m -72.29 -64.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.6 p -86.45 -43.63 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.67 40.22 6.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -93.43 171.54 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 8' ' ' ALA . 18.4 m170 -112.74 139.13 48.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.609 ' HB3' HD12 ' A' ' 37' ' ' LEU . 89.8 m-85 -145.46 121.17 10.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.5 ' CD2' HE21 ' A' ' 22' ' ' GLN . 41.2 m80 -76.71 152.44 35.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.21 -27.1 64.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.7 mmt -87.93 -45.52 10.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.4 m -51.12 -36.45 40.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.609 HD12 ' HB3' ' A' ' 32' ' ' TYR . 12.6 mt -104.03 -0.06 29.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 56.38 41.53 28.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 40' ' ' ALA . 78.0 mt -103.39 151.68 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' N ' HG22 ' A' ' 39' ' ' ILE . . . -98.04 100.8 12.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.8 t -41.33 131.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 45' ' ' LYS . 1.6 t -140.99 146.23 42.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.76 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 tp -103.27 -48.77 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.571 ' H ' HG23 ' A' ' 42' ' ' THR . 54.3 mttt -64.23 -49.92 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 12.9 mtp-105 -32.81 -42.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.74 99.01 12.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.16 50.89 4.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 77.9 t90 -86.3 139.7 30.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.303 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -122.89 135.58 54.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 2.5 p -79.15 157.37 75.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 54.4 Cg_endo -69.75 -3.91 12.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.416 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 15.6 mm-40 -97.44 -16.71 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.673 ' O ' HG13 ' A' ' 56' ' ' VAL . 98.4 m -119.29 -51.27 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.1 pttm -29.51 142.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' ' 63' ' ' SER . 28.4 m -145.15 176.59 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.45 118.93 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -84.41 11.05 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -106.37 -33.23 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 22.8 p -131.71 -1.08 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.446 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 52.76 54.14 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.437 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 25.3 mt-30 -145.34 129.93 17.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.831 ' HB2' HG12 ' A' ' 56' ' ' VAL . 43.8 t -117.69 121.96 42.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.91 -64.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.35 80.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -57.78 -57.11 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 p -45.29 -61.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -56.66 -39.06 73.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.6 ttm -58.77 132.49 54.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.852 HD12 HD11 ' A' ' 84' ' ' LEU . 97.5 mt -100.83 119.0 38.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.7 t -92.74 106.5 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.0 t -67.26 159.14 29.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 24.4 t0 -101.05 -41.8 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -62.97 -60.89 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 76' ' ' ASP . 18.3 p -89.66 -45.54 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.413 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 33.8 t0 72.06 54.97 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -103.36 -67.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.0 122.27 2.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -146.83 118.49 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -56.19 142.08 38.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.405 ' O ' HG13 ' A' ' 87' ' ' VAL . 28.3 p -49.05 -50.05 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -67.55 -25.42 65.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 54.9 m -83.78 23.63 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.852 HD11 HD12 ' A' ' 70' ' ' LEU . 97.0 mt -117.71 137.08 52.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.455 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 17.2 mt-30 -122.1 105.24 37.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.68 173.83 42.72 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.732 -1.778 . . . . 0.0 112.326 -0.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 81' ' ' THR . 6.2 t -84.42 148.93 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.406 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 45.6 mmm -86.92 92.06 8.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 0.1 OUTLIER -45.47 -38.54 6.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.2 m -124.62 176.23 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.619 HG13 ' HD2' ' A' ' 92' ' ' PRO . 98.6 t -110.25 137.54 20.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.741 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.619 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.7 Cg_endo -69.76 152.18 69.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.3 p -125.64 29.93 5.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 95' ' ' GLY . 53.4 t30 -173.39 108.43 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 94' ' ' ASN . . . 32.31 93.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.59 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 30.4 t90 -81.35 158.57 24.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 13.6 mmtm -131.85 110.26 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.71 147.52 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.863 ' O ' HD12 ' A' ' 103' ' ' ILE . 2.5 ttmm -40.9 -65.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.507 ' O ' HD13 ' A' ' 103' ' ' ILE . 25.3 t-20 -35.93 -29.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' A' ' 99' ' ' LYS . 33.7 m -94.97 -44.82 7.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -40.82 -38.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 99' ' ' LYS . 4.2 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.773 0.321 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -104.61 177.46 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.7 t -67.56 140.01 56.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.698 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -92.41 6.08 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.61 -42.17 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -109.97 -25.29 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 31.5 m-20 68.25 49.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 m -139.91 145.73 43.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.362 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.3 -112.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.64 135.37 50.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD13 ' NE2' ' A' ' 22' ' ' GLN . 4.3 mm? -86.24 -44.68 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -68.06 -52.88 30.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -45.29 -41.79 9.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.554 ' NE2' HD13 ' A' ' 19' ' ' LEU . 14.3 pt20 -84.06 143.22 29.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 53.3 m-85 -75.88 169.86 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -136.29 124.56 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 t -76.83 155.24 33.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 p -101.44 -32.15 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.2 m -72.02 -66.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.8 p -83.42 -41.77 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.73 42.53 5.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.633 ' OE1' ' HB2' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -100.12 177.91 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.942 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 12.4 m-70 -123.9 148.47 46.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.698 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 76.8 m-85 -156.57 122.53 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.444 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 40.0 m80 -68.5 168.18 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.21 -26.09 62.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 36' ' ' CYS . 11.9 ptm -88.24 -35.22 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 35' ' ' MET . 1.8 m -60.87 -34.07 74.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.584 HD12 ' HB3' ' A' ' 32' ' ' TYR . 15.1 mt -111.03 -2.19 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 61.62 42.9 10.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -101.32 143.04 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.14 109.78 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.4 t -66.13 106.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.5 p -124.24 152.62 67.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -3.39 11.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.686 2.257 . . . . 0.0 112.396 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.761 HD23 HG22 ' A' ' 74' ' ' THR . 7.1 tp -105.44 -39.51 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 46' ' ' ARG . 35.0 ttmt -65.43 -49.82 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 45' ' ' LYS . 70.8 mtp180 -33.68 -46.56 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.89 132.59 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.88 39.24 89.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.463 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 90.5 t90 -90.25 162.86 15.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.733 0.301 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -158.41 137.46 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 4.2 p -68.69 157.0 89.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.4 Cg_endo -69.8 -1.71 8.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -98.0 -21.94 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 99.7 m -112.53 -33.65 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' C ' HG13 ' A' ' 56' ' ' VAL . 17.4 ttpp -56.37 146.66 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 19.2 m -157.01 169.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.4 t -56.57 153.28 10.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -108.45 -16.55 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -83.61 -46.08 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.5 p -109.79 -28.42 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp 66.27 52.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -135.68 108.68 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.412 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 29.5 p -76.5 166.43 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.31 -84.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.52 83.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -73.65 -53.31 10.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -40.97 -65.88 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -55.24 -42.58 73.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 1.3 tpp -53.03 136.19 35.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 79' ' ' TYR . 3.1 mt -94.8 150.78 19.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.8 t -131.07 98.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.8 t -47.83 164.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -102.89 -32.66 9.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.761 HG22 HD23 ' A' ' 44' ' ' LEU . 27.6 m -84.3 -70.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.79 -20.0 50.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 56.32 53.55 8.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -91.95 -174.36 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.84 117.23 1.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 34.2 m-85 -145.47 118.26 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.899 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.593 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 35.2 m170 -61.33 136.3 58.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.566 HG21 HG22 ' A' ' 91' ' ' VAL . 21.4 p -48.29 -35.27 11.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 14.8 p90 -81.66 -20.52 39.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.2 m -89.3 25.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.53 HD11 ' CD1' ' A' ' 70' ' ' LEU . 80.5 mt -112.85 141.1 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -121.3 104.76 40.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.936 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.8 Cg_endo -69.78 173.1 46.02 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.318 0.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 82' ' ' PHE . 2.9 t -78.2 153.65 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.446 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 4.7 mtt -86.75 108.47 18.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -31.51 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 p -137.56 174.17 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.566 HG22 HG21 ' A' ' 81' ' ' THR . 95.2 t -108.16 130.61 22.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.579 ' HG3' ' CD1' ' A' ' 96' ' ' TRP . 53.3 Cg_endo -69.77 168.56 21.22 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.1 m -134.6 -35.68 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 95' ' ' GLY . 0.9 OUTLIER -86.45 87.41 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 94' ' ' ASN . . . 31.99 91.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.579 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 58.2 t90 -67.07 145.29 55.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -122.94 118.16 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.5 p -72.46 167.6 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 101' ' ' CYS . 18.8 tptm -61.93 -62.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.403 ' O ' HD13 ' A' ' 103' ' ' ILE . 1.6 t30 -38.87 -25.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 99' ' ' LYS . 13.5 m -93.83 -37.37 11.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 99' ' ' LYS . 2.0 ptm180 -48.79 -24.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.419 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 1.8 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.741 ' HB1' ' CD2' ' A' ' 31' ' ' HIS . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.816 0.341 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.04 153.76 18.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 17.8 t -60.55 123.67 18.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.919 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -72.97 5.8 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.481 HG23 ' HD1' ' A' ' 32' ' ' TYR . 60.3 t -115.44 -49.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 10' ' ' CYS . 17.4 p -107.24 -21.63 12.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 9.1 m-20 64.76 53.08 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -143.2 139.09 16.25 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.721 0.772 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.79 -52.66 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.06 -109.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.9 m-20 -102.41 129.74 48.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 19' ' ' LEU . 4.0 mm? -95.71 -30.46 13.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.93 -31.17 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.91 37.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 31.9 mt-30 -117.4 116.43 27.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.589 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 53.1 m-85 -66.0 151.0 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -125.06 114.85 19.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.0 t -76.49 156.22 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.3 p -98.41 -32.66 11.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -72.83 -67.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 20.4 p -84.63 -46.34 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 90.45 43.77 4.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -98.66 178.75 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.741 ' CD2' ' HB1' ' A' ' 8' ' ' ALA . 9.1 m-70 -122.63 141.75 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.919 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 94.7 m-85 -146.9 144.76 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -81.28 161.6 23.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -76.38 -28.7 59.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.545 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.7 ttt -88.2 -44.94 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.4 m -50.07 -39.36 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.5 HD12 ' HB3' ' A' ' 32' ' ' TYR . 28.3 mt -101.52 8.98 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 52.77 36.9 22.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' GLY . 78.6 mt -101.08 146.48 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 42' ' ' THR . . . -97.76 98.03 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.9 t -48.01 123.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 40' ' ' ALA . 31.0 p -139.74 155.16 71.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 111.122 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 9.74 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.341 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.613 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -102.58 -47.4 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 46' ' ' ARG . 4.9 mtmp? -69.98 -52.48 23.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 45' ' ' LYS . 49.8 mtt-85 -30.47 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . -76.7 97.75 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.76 53.06 48.4 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 60.8 t90 -71.62 159.29 34.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.719 0.295 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.456 ' O ' ' CE2' ' A' ' 49' ' ' TRP . 7.2 mt-30 -128.0 140.97 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.587 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.6 p -87.71 157.37 52.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.47 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.6 Cg_endo -69.75 -2.58 10.41 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 23.9 mt-10 -97.53 -18.31 19.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.694 ' O ' HG13 ' A' ' 56' ' ' VAL . 71.4 m -118.73 -43.7 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 54' ' ' CYS . 8.9 ptmm? -30.31 142.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 54' ' ' CYS . 26.0 m -146.81 175.35 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.064 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 37.2 t -72.36 149.21 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 23.5 mm-40 -109.33 -11.57 14.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -85.75 -32.96 21.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.57 -21.82 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 57' ' ' CYS . 24.1 mmtp 63.15 54.81 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.27 128.61 14.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.461 ' HB3' HG12 ' A' ' 56' ' ' VAL . 87.3 p -98.59 124.85 43.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.19 -71.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -81.48 104.01 11.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -82.05 -50.05 9.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.3 p -53.62 -44.65 69.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -83.27 40.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.601 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 2.1 tpp -133.11 139.59 47.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.615 HD21 ' HD2' ' A' ' 92' ' ' PRO . 75.1 mt -108.19 138.75 43.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 81.2 t -110.55 118.98 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 40.2 t -69.36 127.98 34.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.97 24.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 m -132.17 -53.21 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.453 ' HA ' HD12 ' A' ' 44' ' ' LEU . 28.7 p -105.61 -26.84 11.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 72.93 44.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -103.86 102.55 12.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.8 135.46 42.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 28.9 m-85 -146.97 113.92 6.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.936 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.601 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 25.2 m170 -57.74 136.83 56.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.408 ' O ' HG13 ' A' ' 87' ' ' VAL . 10.6 p -47.36 -39.56 15.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 10.7 p90 -76.23 -24.43 54.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.0 m -85.13 25.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 86' ' ' PRO . 97.9 mt -122.27 141.33 51.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -119.74 107.95 39.77 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.74 172.9 46.77 Favored 'Cis proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.374 -0.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 82' ' ' PHE . 2.8 t -80.37 148.42 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.7 mmt -88.49 147.97 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -101.76 -42.5 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.7 p -131.83 171.01 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.63 124.08 54.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.709 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.615 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.2 Cg_endo -69.8 163.25 38.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.6 m -121.35 -46.75 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -49.09 -52.11 27.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 164.69 126.22 0.81 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.447 ' NE1' HD13 ' A' ' 70' ' ' LEU . 71.6 t90 -103.08 147.12 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.57 130.26 19.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 2.4 p -76.51 143.48 40.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 100' ' ' ASN . 17.6 ttmm -41.6 -60.43 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 99' ' ' LYS . 27.7 t30 -34.99 -36.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' LYS . 62.3 m -89.23 -42.75 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 103' ' ' ILE . 15.9 mtp180 -49.41 -37.12 24.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 102' ' ' ARG . 29.1 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -147.83 127.77 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -70.57 -48.12 56.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.9 51.48 45.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -118.96 41.4 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.379 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -101.66 120.18 39.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.483 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 179.45 153.53 11.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 71.68 26.81 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.18 170.21 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 3.7 t -55.04 129.24 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.762 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -84.97 6.21 26.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG23 ' HD2' ' A' ' 32' ' ' TYR . 91.5 t -111.75 -48.17 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 14' ' ' ASP . 21.2 p -103.7 -27.27 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 21.6 t0 73.9 47.23 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.4 t -140.82 145.97 42.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.641 0.734 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.82 -41.77 3.91 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.68 2.254 . . . . 0.0 112.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 33.6 -129.75 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.92 131.51 42.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.86 -50.76 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.44 -43.18 99.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.26 -49.03 73.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' OE1' ' CB ' ' A' ' 31' ' ' HIS . 25.4 pt20 -82.82 148.65 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 21.4 m-85 -78.99 164.54 24.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -131.28 116.18 17.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.1 t -66.23 157.08 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.0 p -103.42 -34.47 8.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.9 m -68.41 -65.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.7 p -83.72 -42.32 16.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.96 36.74 5.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -102.02 169.89 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.454 ' CB ' ' OE1' ' A' ' 22' ' ' GLN . 4.9 m170 -125.77 151.18 47.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.762 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 74.9 m-85 -151.85 121.42 6.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -62.71 152.62 35.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.29 -29.64 73.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.0 mmt -82.93 -40.26 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.89 -39.42 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.594 HD12 ' CB ' ' A' ' 32' ' ' TYR . 11.6 mt -102.98 1.24 33.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 56.76 39.79 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -100.38 147.2 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.96 109.34 20.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.75 120.68 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.2 p -131.42 155.2 81.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.01 15.18 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.527 HD23 HG22 ' A' ' 74' ' ' THR . 19.1 tp -105.16 -43.36 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -57.96 -49.04 78.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -40.31 -56.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.29 117.83 17.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.26 37.81 35.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' A' ' 23' ' ' PHE . 24.8 t90 -81.35 142.54 32.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.709 0.29 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -136.13 125.04 24.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 53' ' ' GLU . 2.4 p -60.57 155.28 50.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -1.5 8.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 5.0 mm-40 -96.86 -24.3 15.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.585 ' O ' HG13 ' A' ' 56' ' ' VAL . 85.3 m -108.17 -35.43 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -47.84 132.04 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 54' ' ' CYS . 17.0 m -130.99 173.38 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 61' ' ' LYS . 51.6 t -74.92 112.55 11.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -72.12 1.16 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -96.19 -49.62 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.7 p -112.79 -21.66 11.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 62.96 54.86 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -139.69 109.71 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 p -83.63 119.87 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.16 -56.32 0.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -78.68 49.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -49.56 -47.7 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -49.08 -54.93 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -83.5 41.49 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 ttt -124.18 112.4 17.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.823 HD12 HD11 ' A' ' 84' ' ' LEU . 94.2 mt -79.76 136.55 36.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.5 t -118.39 110.06 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.9 t -50.61 161.95 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.85 -3.98 25.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.527 HG22 HD23 ' A' ' 44' ' ' LEU . 92.3 m -112.5 -71.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.169 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.42 -32.6 72.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 72.13 46.83 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 7.3 mmmm -108.3 141.08 40.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 79' ' ' TYR . . . -87.05 132.88 11.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 34.3 m-85 -146.3 121.99 10.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.923 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 28.6 m170 -68.08 135.54 52.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.5 p -47.02 -44.48 20.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 9.2 p90 -72.17 -20.9 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.1 m -95.71 26.06 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.823 HD11 HD12 ' A' ' 70' ' ' LEU . 77.4 mt -112.73 147.23 37.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 46.3 tp60 -123.73 104.01 33.87 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' LEU . 54.1 Cg_endo -69.74 179.73 21.43 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.385 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 t -83.37 149.75 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' LYS . 31.7 mmm -97.9 78.42 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' MET . 34.3 mmtm -35.2 -38.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.1 m -132.98 175.97 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.458 HG13 ' HD2' ' A' ' 92' ' ' PRO . 71.8 t -106.52 133.69 20.14 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 111.157 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.458 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.0 Cg_endo -69.72 160.02 51.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.8 m -65.83 -64.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -157.96 152.54 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.4 72.72 1.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.55 ' CE2' HD13 ' A' ' 70' ' ' LEU . 67.8 t90 -111.71 150.4 30.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -136.29 150.2 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.8 p -96.52 174.33 6.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HA ' ' CG ' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -73.33 -36.34 66.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.422 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 75.5 m-20 -66.61 -21.07 66.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' A' ' 103' ' ' ILE . 2.2 m -94.74 -56.32 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -45.63 -21.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 99' ' ' LYS . 11.5 mm -38.55 113.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 36.2 m -72.48 168.25 18.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.63 92.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.9 p -133.78 129.3 36.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.09 169.79 12.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 88.13 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.7 m -65.34 111.59 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.1 p -109.84 175.3 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.473 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -114.46 152.25 31.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.383 . . . . 0.0 110.873 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.1 p -58.54 154.68 13.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.38 54.56 3.16 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -106.61 -52.06 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 53.01 46.23 27.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.26 140.35 5.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . -108.49 102.32 11.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.341 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -103.04 172.28 6.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.506 ' SG ' HG23 ' A' ' 12' ' ' VAL . 1.8 t -49.97 137.06 17.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.602 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -89.48 5.66 44.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -120.6 -41.15 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.129 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.69 -19.12 13.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 21.0 m-20 61.37 42.85 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.55 143.97 50.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.849 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.1 Cg_endo -69.84 -48.5 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.6 -133.13 0.64 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.86 127.01 38.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.84 -40.34 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.46 -33.13 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.86 -51.09 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.474 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 4.6 pt20 -75.12 136.25 41.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.51 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 66.7 m-85 -73.89 158.19 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.517 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 8.0 t80 -120.9 98.39 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.4 t -46.28 154.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.2 p -101.92 -28.69 12.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.3 m -73.98 -65.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.75 -39.73 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.79 41.46 5.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -102.55 170.44 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 63.1 m170 -116.64 139.65 50.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.602 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 78.5 m-85 -145.66 127.94 15.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.474 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 28.6 m170 -70.15 157.2 38.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.17 -20.26 76.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.8 -47.36 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.581 ' C ' HD22 ' A' ' 37' ' ' LEU . 73.2 m -56.22 -17.97 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.581 HD22 ' C ' ' A' ' 36' ' ' CYS . 0.8 OUTLIER -116.67 -3.02 11.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 62.56 34.69 14.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -100.71 141.07 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 42' ' ' THR . . . -92.39 101.99 14.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -44.96 103.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 40' ' ' ALA . 32.5 p -123.06 153.83 64.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 2.54 3.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.502 ' CD2' HG22 ' A' ' 74' ' ' THR . 12.7 tp -104.95 -38.92 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' ARG . 28.7 mttt -72.86 -49.54 29.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.0 mtt180 -33.99 -42.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.81 107.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 38.86 56.12 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 64.1 t90 -57.99 142.75 45.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.719 0.295 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -110.27 130.88 55.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.8 p -76.49 158.11 81.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.601 0.715 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.3 Cg_endo -69.75 -9.65 26.64 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.737 2.291 . . . . 0.0 112.334 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -91.29 -17.79 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.1 m -117.04 -17.33 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 139.68 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG12 ' HB2' ' A' ' 63' ' ' SER . 7.6 m -152.8 164.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.536 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.3 t -56.86 152.93 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -109.31 -16.2 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -81.86 -45.64 15.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.6 p -108.23 -26.35 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt 65.84 53.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -152.39 106.65 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.436 ' HB2' HG12 ' A' ' 56' ' ' VAL . 1.5 t -82.56 131.39 35.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.79 -47.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -96.78 87.66 4.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 67' ' ' SER . 2.7 p-10 -65.5 -50.72 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 66' ' ' ASP . 3.8 t -49.29 -62.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.47 -37.35 75.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.1 ttm -55.92 130.01 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 84' ' ' LEU . 15.5 mt -101.86 121.13 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.8 t -97.18 108.81 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.1 t -51.11 163.9 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.02 -18.08 13.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.502 HG22 ' CD2' ' A' ' 44' ' ' LEU . 69.0 m -94.66 -63.48 1.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 20.2 p -85.38 -22.34 28.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t70 66.53 46.32 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 16.5 mmtt -96.44 -174.67 3.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.24 124.3 4.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 21.7 m-85 -146.92 118.1 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 25.8 m80 -65.32 145.83 55.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.7 p -49.11 -51.69 30.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -67.2 -20.11 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 34.0 m -90.38 22.62 3.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.457 HD11 HD12 ' A' ' 70' ' ' LEU . 78.8 mt -111.74 146.21 37.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -125.52 102.56 29.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.9 Cg_endo -69.8 178.44 25.55 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.332 0.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.9 t -83.84 150.69 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.0 mmm -95.7 144.91 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' N ' ' HE3' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -90.7 -42.43 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.4 p -136.29 178.01 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG13 ' CD2' ' A' ' 70' ' ' LEU . 60.6 t -103.72 114.72 64.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.741 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 139.7 40.57 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.258 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.0 p -101.64 20.12 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -117.21 48.94 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.91 99.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -76.2 158.43 31.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 102' ' ' ARG . 5.2 ttpp -140.51 123.19 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.91 144.63 30.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 100' ' ' ASN . 1.1 tmtp? -38.66 -63.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 99' ' ' LYS . 9.1 t-20 -36.17 -36.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 33.2 m -85.42 -49.62 7.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 103' ' ' ILE . 37.9 mtt180 -42.78 -34.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 102' ' ' ARG . 28.6 mm -33.68 135.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 6.9 t -40.49 118.7 0.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.3 tp -49.06 139.28 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.8 m 60.04 44.05 13.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -85.76 147.17 21.83 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 93.0 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.264 . . . . 0.0 112.352 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.8 m -79.82 127.9 32.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.6 p -97.39 -57.54 2.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.457 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -112.54 118.13 34.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -93.82 175.46 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.64 165.85 35.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t 43.94 43.49 5.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -48.03 142.06 5.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.9 -150.47 25.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.417 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.548 ' HB1' ' CE1' ' A' ' 31' ' ' HIS . . . -103.54 92.6 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -104.32 158.12 16.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 14' ' ' ASP . 42.2 t -57.8 123.62 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.739 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -74.58 5.61 4.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -115.09 -38.3 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.63 -19.01 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.0 t70 61.25 53.59 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.2 m -129.9 123.13 20.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.699 0.761 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.73 -8.69 24.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -31.66 -88.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.56 108.96 17.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.7 mt -95.67 -44.92 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.06 -44.84 29.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -48.62 -41.4 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -72.68 160.81 31.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.458 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 5.9 m-85 -96.86 173.62 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -134.97 112.68 10.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.9 t -61.15 154.05 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.7 p -102.53 -22.07 14.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.4 m -81.75 -64.22 1.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.86 -42.87 12.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.84 36.94 5.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 27.4 mm100 -97.53 176.05 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 1.2 m-70 -132.31 153.48 50.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.739 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 53.1 m-85 -157.45 140.93 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -76.3 145.64 39.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -63.84 -18.39 61.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.459 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.14 -45.5 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.0 m -55.47 -32.03 62.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 32' ' ' TYR . 14.1 mt -101.82 -4.6 26.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 66.14 37.69 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 34' ' ' GLY . 38.5 mt -100.92 136.01 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 42' ' ' THR . . . -86.23 103.87 15.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -49.44 109.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 40' ' ' ALA . 41.2 p -126.84 154.1 76.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 0.0 111.162 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 4.61 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 75' ' ' CYS . 2.5 tt -102.53 -48.45 4.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' ARG . 47.7 mttt -65.8 -55.29 17.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 74.8 mtp180 -34.76 -50.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.63 105.27 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 71.47 52.58 12.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.458 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 55.5 t90 -79.81 162.04 25.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.694 0.283 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -149.78 120.27 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.2 p -56.0 156.77 9.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.7 Cg_endo -69.77 -11.8 31.56 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.85 -13.67 41.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 99.0 m -122.77 -20.54 5.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 52' ' ' PRO . 15.9 ptmt -58.64 151.32 21.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 63' ' ' SER . 16.7 m -156.99 168.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 46.2 t -66.91 113.18 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -69.17 -19.55 64.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.406 ' OD1' ' SG ' ' A' ' 57' ' ' CYS . 5.3 m120 -69.16 -60.07 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.6 p -99.25 2.28 45.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' CYS . 43.2 mmtm 54.09 36.34 24.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' CYS . 27.3 mt-30 -141.66 156.66 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.533 ' HB2' HG12 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -120.82 -175.61 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.31 -79.24 0.37 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -61.39 89.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -72.93 -58.28 3.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 p -45.48 -47.49 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -71.45 -39.28 71.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.5 ttm -55.35 117.38 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 96' ' ' TRP . 9.5 mt -91.09 118.18 30.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.94 110.05 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.4 t -55.94 163.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.4 -16.35 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.7 m -96.41 -62.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.426 ' HA ' HD22 ' A' ' 44' ' ' LEU . 28.1 p -82.98 -24.81 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.9 t70 63.53 52.12 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -113.86 149.95 34.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -91.41 127.22 8.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -142.98 116.22 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 23.9 m170 -66.75 134.37 52.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.498 HG22 HD11 ' A' ' 70' ' ' LEU . 22.9 p -44.07 -51.21 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 80' ' ' HIS . 24.9 p90 -66.27 -21.73 66.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.458 ' SG ' ' CE1' ' A' ' 82' ' ' PHE . 95.5 m -92.23 20.52 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.495 HD11 ' HZ2' ' A' ' 96' ' ' TRP . 20.1 mt -108.66 146.49 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 14.9 pt20 -126.35 102.96 26.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.8 Cg_endo -69.76 177.67 28.06 Favored 'Cis proline' 0 C--N 1.342 0.235 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.365 -0.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.7 t -84.43 149.76 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.455 ' HE3' ' HD3' ' A' ' 92' ' ' PRO . 35.7 mmm -90.55 120.6 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -67.58 -36.41 80.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.8 m -156.85 173.88 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 93' ' ' THR . 17.0 t -94.45 128.71 39.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 94' ' ' ASN . 54.0 Cg_endo -69.78 2.35 3.62 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.641 ' H ' HG12 ' A' ' 91' ' ' VAL . 8.4 m 30.26 36.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 92' ' ' PRO . 63.8 t30 -173.32 105.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 46.38 97.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.613 ' CD1' HD22 ' A' ' 70' ' ' LEU . 81.2 t90 -110.59 115.52 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -103.47 131.43 50.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -83.49 169.33 15.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.526 ' O ' HD12 ' A' ' 103' ' ' ILE . 29.0 ttpt -64.37 -64.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -38.45 -26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 99' ' ' LYS . 28.7 m -95.31 -37.21 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -48.92 -33.39 10.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 99' ' ' LYS . 2.4 mp -41.94 127.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.32 85.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 106' ' ' SER . 1.7 tp -112.89 138.38 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.459 ' N ' HG13 ' A' ' 105' ' ' ILE . 48.4 t -168.78 151.64 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -141.0 -139.73 3.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -16.72 37.66 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.7 m -104.12 94.65 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m -105.62 105.3 15.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.483 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -44.4 -60.49 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -105.68 -51.94 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.73 76.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -97.0 167.08 11.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.913 0.387 . . . . 0.0 110.823 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -142.17 125.55 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.51 166.27 26.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.617 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . -69.65 97.91 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -105.29 166.74 10.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' ASP . 13.2 t -50.51 122.16 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.881 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -73.93 4.22 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 t -115.52 -32.2 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 14' ' ' ASP . 10.4 p -130.57 18.69 5.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 13' ' ' CYS . 43.8 m-20 32.24 44.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.28 144.1 51.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.7 0.762 . . . . 0.0 110.843 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' GLY . 54.1 Cg_endo -69.78 -38.11 8.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.634 2.222 . . . . 0.0 112.376 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 36.9 -123.85 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -96.06 138.38 33.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.11 -20.94 18.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 mt -91.35 -34.73 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.63 -44.8 73.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -70.52 158.87 35.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.59 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 30.2 m-85 -101.19 152.41 20.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -111.65 117.22 32.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.4 t -69.18 150.97 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -97.23 -24.74 15.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.3 m -79.11 -70.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.161 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.24 -45.48 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.84 50.43 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -109.73 165.53 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.617 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 23.4 m170 -112.81 134.98 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.881 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 86.0 m-85 -136.28 124.05 22.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -64.88 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.02 -19.01 60.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.9 mmm -93.31 -51.87 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.2 m -49.59 -28.23 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD13 HD11 ' A' ' 39' ' ' ILE . 12.1 mt -98.83 -22.53 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 72.82 40.5 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.446 HD11 HD13 ' A' ' 37' ' ' LEU . 49.1 mt -104.71 143.01 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.55 106.45 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.2 t -58.67 101.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.5 p -116.6 153.6 49.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.608 0.718 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 3.09 2.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.706 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -97.39 -37.6 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 28.5 mttt -76.9 -51.26 11.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 14.5 mtp-105 -36.61 -38.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.54 88.28 4.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.99 47.4 2.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 23' ' ' PHE . 75.4 t90 -85.44 150.88 24.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -133.18 128.55 36.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -67.22 156.7 87.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.86 33.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -89.69 -7.4 54.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.646 ' O ' HG13 ' A' ' 56' ' ' VAL . 73.2 m -125.82 -53.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 54' ' ' CYS . 12.3 pttm -29.96 143.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 54' ' ' CYS . 16.1 m -146.7 176.17 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.2 t -63.91 154.08 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.46 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 98.5 mm-40 -106.82 -19.83 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -84.18 -48.1 10.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.3 p -104.71 -30.99 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt 65.32 47.5 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -132.46 109.02 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.9 p -76.63 118.72 19.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.1 -62.53 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -81.14 98.2 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.93 -52.58 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.3 p -53.62 -46.18 70.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -87.79 46.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.6 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 1.4 tpp -133.19 99.84 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.567 ' CD1' HG22 ' A' ' 81' ' ' THR . 23.2 mt -68.42 98.1 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.6 t -77.45 103.42 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 6.2 t -48.21 159.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -99.78 -41.34 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.5 m -68.05 -69.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 18.2 p -77.01 -36.83 56.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 60.28 54.59 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -97.23 -71.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' ' CD1' ' A' ' 79' ' ' TYR . . . 140.06 121.05 1.8 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 14.8 m-85 -146.79 129.05 15.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.935 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.6 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 34.6 m80 -74.64 137.25 42.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 70' ' ' LEU . 23.2 p -53.89 -40.73 66.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' HA ' ' CG2' ' A' ' 87' ' ' VAL . 45.8 p90 -80.07 6.48 11.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -110.37 -1.38 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' PRO . 43.2 mt -91.97 155.07 18.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 3.0 tp-100 -126.46 103.8 25.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.9 Cg_endo -69.78 -177.69 15.13 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.368 -0.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -97.18 144.22 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.8 mmt -80.49 90.8 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -38.95 -39.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.956 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.8 m -132.69 174.32 10.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.2 t -104.2 127.77 28.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.668 0.747 . . . . 0.0 111.092 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.525 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.77 -174.62 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.3 m -93.61 -53.78 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -169.14 146.14 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.39 52.3 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -111.57 151.44 28.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HE3' ' C ' ' A' ' 101' ' ' CYS . 14.7 tttp -143.57 125.32 15.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.4 p -72.12 155.65 40.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 101' ' ' CYS . 1.0 OUTLIER -48.99 -58.07 5.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -45.73 -21.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.457 ' C ' ' HE3' ' A' ' 97' ' ' LYS . 2.7 m -95.85 -43.89 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -53.6 -21.29 6.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.1 mm -42.0 136.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 10.2 t -120.74 -23.21 6.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 105' ' ' ILE . 7.3 tt -103.69 81.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.3 t -134.39 49.17 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.31 143.59 15.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.535 ' O ' ' C ' ' A' ' 109' ' ' SER . 54.1 Cg_endo -69.72 6.35 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 108' ' ' PRO . 57.6 p -27.18 117.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.1 t -114.55 176.69 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.515 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.5 p 39.93 41.72 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.356 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -68.86 -50.54 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.94 103.39 1.05 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -75.97 154.2 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -51.61 133.5 30.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.74 -121.23 4.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . -74.36 99.84 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -105.96 169.53 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.7 t -51.49 141.28 16.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.644 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -91.92 4.43 52.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -111.78 -54.95 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.2 p -96.02 -29.31 14.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 74.32 47.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 m -137.05 145.77 51.82 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.686 0.755 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.76 -44.76 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.09 -111.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -111.95 143.96 42.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -91.96 -49.95 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.8 mt -66.45 -37.55 85.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.78 -47.65 67.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' CD ' ' HB3' ' A' ' 31' ' ' HIS . 24.0 pt20 -87.24 155.92 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.485 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 37.8 m-85 -81.53 171.42 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' A' ' 25' ' ' CYS . 17.1 t80 -135.8 118.95 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.485 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 49.7 t -68.96 153.17 44.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.2 p -101.83 -25.95 13.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.9 m -76.9 -64.52 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 21.3 p -88.74 -46.07 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 99.86 35.88 4.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -93.95 167.52 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.93 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 12.1 m170 -122.43 152.39 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.644 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 74.1 m-85 -157.2 123.9 5.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -73.07 146.06 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.21 -18.29 27.53 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.7 mmt -90.76 -43.27 10.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.02 -25.91 67.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 32' ' ' TYR . 13.5 mt -112.06 -2.84 14.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 58.77 42.14 20.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.5 mt -103.76 142.92 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 42' ' ' THR . . . -84.37 98.7 10.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.5 115.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 40' ' ' ALA . 45.6 p -128.51 151.66 77.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -6.09 17.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -102.93 -49.42 3.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -57.7 -40.44 79.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -44.55 -49.12 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.43 136.79 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.97 50.53 54.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.485 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 67.7 t90 -92.26 143.32 26.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -136.95 123.05 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 1.0 OUTLIER -56.67 157.05 10.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.651 0.739 . . . . 0.0 110.859 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.9 Cg_endo -69.75 -13.44 34.7 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.251 . . . . 0.0 112.394 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -87.65 -10.97 49.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.548 ' O ' HG13 ' A' ' 56' ' ' VAL . 91.7 m -122.69 -51.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.9 pttm -31.96 147.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.701 HG12 ' HB2' ' A' ' 63' ' ' SER . 22.3 m -146.01 166.31 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.54 138.66 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 50.2 mm-40 -91.43 -16.17 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -80.9 -53.17 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 28.3 p -101.56 10.33 40.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 42.17 34.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 60' ' ' CYS . 19.0 mt-30 -134.52 174.92 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.701 ' HB2' HG12 ' A' ' 56' ' ' VAL . 9.1 t -140.86 135.67 31.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.9 -93.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.8 99.23 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -70.2 -52.28 24.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 t -50.81 -53.27 33.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -65.77 -40.26 91.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.8 ttm -45.63 128.03 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD1' HD11 ' A' ' 84' ' ' LEU . 1.9 mt -89.85 130.73 36.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.8 t -108.82 112.19 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.486 ' HB3' ' N ' ' A' ' 76' ' ' ASP . 12.1 t -55.9 161.81 2.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.01 -30.79 10.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -82.36 -58.13 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.452 ' SG ' ' CD ' ' A' ' 77' ' ' LYS . 12.7 p -101.07 -13.35 18.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.486 ' N ' ' HB3' ' A' ' 72' ' ' CYS . 0.7 OUTLIER 40.2 50.53 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' CD ' ' SG ' ' A' ' 75' ' ' CYS . 11.8 mtpp -78.26 -68.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.51 121.6 2.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 61.0 m-85 -147.08 133.84 20.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.951 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -67.67 168.68 10.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 88' ' ' MET . 0.7 OUTLIER -90.02 -21.94 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -106.62 18.46 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 50.9 m -116.71 -16.13 10.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.522 ' O ' HG13 ' A' ' 87' ' ' VAL . 10.4 mt -78.14 157.67 29.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 36.9 tt0 -129.09 102.34 19.0 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.5 Cg_endo -69.79 173.64 43.87 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.327 0.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 84' ' ' LEU . 1.3 m -87.75 149.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.494 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 76.8 mtp -94.98 78.15 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' MET . 3.9 mptp? -33.62 -48.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.0 m -116.73 174.31 6.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.685 HG13 ' HD2' ' A' ' 92' ' ' PRO . 96.4 t -109.77 139.31 21.12 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.681 0.753 . . . . 0.0 111.064 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.685 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.81 147.61 62.92 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.689 2.26 . . . . 0.0 112.317 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.0 m -40.66 -63.28 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -168.56 143.68 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.93 68.2 1.06 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -109.11 134.29 51.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -114.78 125.4 53.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.3 p -69.86 163.62 25.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -64.86 -41.66 95.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -59.04 -22.09 60.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.3 m -95.26 -43.03 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -61.63 -13.51 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mm -46.37 141.18 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.9 m -95.27 111.93 23.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 106' ' ' SER . 6.0 pt -65.8 176.27 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 105' ' ' ILE . 8.0 t -35.11 116.88 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -113.43 149.54 18.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -4.3 13.78 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 t -61.96 113.13 2.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.9 t -122.84 43.54 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.509 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 t -151.85 131.19 12.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -94.93 119.47 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.12 -160.83 21.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -94.93 175.12 6.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -148.97 134.21 18.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.06 115.3 4.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.596 ' HB1' ' CD2' ' A' ' 31' ' ' HIS . . . 53.72 42.72 31.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -44.73 144.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' ASP . 12.6 t -57.17 123.99 17.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -72.37 5.0 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.447 HG21 HD11 ' A' ' 37' ' ' LEU . 94.3 t -115.1 -45.59 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 p -113.5 -17.84 12.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 36.5 t70 61.52 54.38 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 m -140.18 139.59 21.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.77 -51.73 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 30.68 -110.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.49 117.73 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.77 -47.82 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.7 -39.25 93.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.64 -47.61 66.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 14.5 pt20 -81.07 135.56 35.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.539 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 82.9 m-85 -60.73 172.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -135.72 116.49 14.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.9 t -71.27 154.99 41.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -104.01 -33.36 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.6 m -68.37 -63.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -87.9 -43.76 11.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.06 34.59 5.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -100.72 157.12 16.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' HB1' ' A' ' 8' ' ' ALA . 11.8 m170 -107.53 156.83 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 56.6 m-85 -157.73 121.43 4.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 36.5 m80 -63.11 159.02 18.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.26 -19.68 79.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.3 tpt -94.56 -39.58 10.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.26 -27.91 49.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD11 HG21 ' A' ' 12' ' ' VAL . 9.8 mp -110.72 4.82 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.1 t70 58.57 36.94 25.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.1 mt -101.66 146.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 42' ' ' THR . . . -91.92 98.66 11.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.7 t -46.09 119.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 40' ' ' ALA . 37.7 p -132.76 154.45 81.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.29 2.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -104.51 -48.11 3.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 46' ' ' ARG . 18.0 mtmt -61.54 -54.71 39.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 45' ' ' LYS . 16.3 mtp-105 -34.14 -40.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.28 123.22 26.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.37 54.61 26.12 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.539 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 64.1 t90 -84.69 142.44 29.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.709 0.29 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -128.25 111.56 13.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 2.8 p -46.78 156.75 0.51 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 54.1 Cg_endo -69.79 -3.11 11.36 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.679 2.253 . . . . 0.0 112.377 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 4.1 mm-40 -96.42 -21.39 17.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 87.9 m -110.87 -32.08 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 4.2 ttpm? -59.52 139.22 57.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.409 HG12 ' HB3' ' A' ' 63' ' ' SER . 19.6 m -138.8 172.47 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 41.5 t -61.82 118.7 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -78.74 7.42 7.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -107.33 -39.17 5.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.2 p -122.15 -21.57 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.63 53.1 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -133.71 106.97 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.409 ' HB3' HG12 ' A' ' 56' ' ' VAL . 25.7 p -80.79 140.55 35.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.89 -58.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 69' ' ' MET . 2.4 mp0 -85.34 115.02 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.21 -55.01 3.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.1 t -49.75 -59.63 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -58.39 -43.15 88.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 9.1 ttm -53.61 107.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 mt -81.94 111.76 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.6 t -90.29 110.53 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.7 t -55.37 130.69 43.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -81.32 18.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.5 m -122.45 -59.14 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.06 -41.79 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 74.16 51.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 55' ' ' LYS . 40.2 mttt -89.31 -43.96 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.66 118.83 4.43 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.519 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -147.3 122.68 10.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 28.6 m170 -71.97 137.55 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.438 ' HA ' HD12 ' A' ' 84' ' ' LEU . 25.1 p -44.99 -47.54 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 15.6 p90 -70.26 -23.33 62.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 63.1 m -87.57 21.13 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 86' ' ' PRO . 87.4 mt -112.75 137.45 51.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 5.3 tt0 -119.73 105.48 43.22 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.3 Cg_endo -69.83 175.12 38.05 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.303 0.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.0 t -84.69 149.77 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.419 ' HE1' ' CD1' ' A' ' 96' ' ' TRP . 7.8 mmm -86.71 138.3 31.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -88.91 -40.09 13.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.8 p -134.26 174.91 9.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.86 118.09 61.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.03 22.55 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 78.7 p -110.13 43.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -131.75 -52.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.5 86.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.419 ' CD1' ' HE1' ' A' ' 88' ' ' MET . 52.3 t90 -74.87 147.02 41.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.842 0.353 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -140.26 126.53 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.9 141.48 40.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 100' ' ' ASN . 18.2 tttp -41.73 -61.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 99' ' ' LYS . 14.8 m120 -34.65 -36.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' LYS . 22.4 m -85.94 -47.68 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 103' ' ' ILE . 49.6 mtp180 -46.46 -35.93 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 102' ' ' ARG . 29.1 mm -31.57 127.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 3.2 t -85.93 140.48 30.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.2 tt -82.96 157.92 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.2 t -110.64 -45.66 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.86 146.46 19.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 102.42 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.0 p -85.15 -49.73 8.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.81 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.0 p -95.42 -38.3 10.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.495 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -45.77 157.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.829 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 t -125.48 148.32 48.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.54 70.3 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.444 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 t -115.16 104.53 11.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.858 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -139.85 117.87 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.52 166.11 35.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.4 97.3 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -104.35 175.93 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.4 t -68.11 130.63 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.648 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -85.76 6.33 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.477 HG21 HD11 ' A' ' 37' ' ' LEU . 88.7 t -111.43 -40.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 p -114.9 -28.27 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 14.0 t70 74.69 48.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.89 142.92 37.89 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.702 0.763 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -51.36 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.96 -116.92 0.62 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -114.0 117.98 32.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -78.62 -45.53 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.47 -40.55 95.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.08 -51.38 69.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -78.28 167.3 21.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.601 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 58.8 m-85 -79.79 162.01 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -136.43 111.09 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t -61.45 156.0 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.5 p -103.17 -34.97 8.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.177 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.2 m -68.02 -67.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 p -82.43 -34.59 28.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.62 35.95 12.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.578 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 16.4 mm100 -96.28 167.43 11.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.504 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 27.1 m170 -125.77 145.26 50.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.648 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 9.0 m-85 -152.07 121.52 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -64.99 162.24 17.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' ASP . . . -73.25 -32.35 60.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.4 ptm -77.85 -27.22 49.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.8 -24.17 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 32' ' ' TYR . 5.6 mp -122.64 -8.84 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 34' ' ' GLY . 32.4 t0 70.86 41.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -102.49 141.2 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.57 116.54 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.8 t -57.83 91.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.44 149.28 35.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 5.2 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.234 . . . . 0.0 112.396 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' C ' HD23 ' A' ' 44' ' ' LEU . 4.7 tt -102.97 -55.9 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 73' ' ' ASP . 31.9 mttt -56.57 -53.32 58.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -38.8 -47.44 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.44 92.39 3.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.31 50.57 4.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 37.7 t90 -76.83 166.23 23.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.432 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 6.7 mt-30 -153.55 112.67 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 53' ' ' GLU . 1.9 p -50.8 155.58 1.93 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.626 0.727 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.38 16.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.286 . . . . 0.0 112.31 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.41 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.1 mt-10 -95.73 -17.1 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.2 m -115.84 -23.97 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -65.0 141.48 58.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 12.4 m -143.15 175.31 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 43.5 t -64.1 153.17 38.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -107.67 -20.68 13.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -78.08 -51.13 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.8 p -102.4 -30.27 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt 67.12 47.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -137.57 104.33 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.408 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 22.2 p -74.35 142.18 45.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.46 -65.0 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -75.78 55.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.53 -47.37 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.9 m -48.5 -51.05 29.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -85.78 38.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.8 ttt -122.42 106.75 11.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.624 HD12 HD11 ' A' ' 84' ' ' LEU . 22.9 mt -75.57 102.26 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.5 t -83.66 107.17 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.2 t -49.21 162.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.434 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 2.3 m-20 -105.36 -34.28 7.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.0 m -77.3 -72.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.418 ' HA ' HD22 ' A' ' 44' ' ' LEU . 13.5 p -80.59 -26.12 38.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t70 67.04 54.52 0.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 35.7 mttm -106.57 119.13 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.0 129.04 40.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.428 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 56.4 m-85 -146.92 114.34 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 33.9 m170 -62.41 137.93 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 87' ' ' VAL . 14.8 p -50.49 -37.19 37.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.588 ' O ' HG22 ' A' ' 87' ' ' VAL . 7.0 p90 -78.01 -27.83 49.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.4 m -84.76 19.26 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.624 HD11 HD12 ' A' ' 70' ' ' LEU . 44.8 mt -101.39 150.14 23.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 32.4 tp60 -128.91 101.79 19.75 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.638 0.733 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.83 179.56 22.11 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.354 0.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 82' ' ' PHE . 3.0 t -85.76 146.46 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 15.7 mmm -93.37 131.15 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -77.02 -40.86 45.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.2 p -138.71 170.33 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -96.43 114.69 64.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.439 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.79 151.84 68.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.1 p -120.96 39.35 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -133.89 31.53 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.96 111.01 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.508 ' CE2' HD13 ' A' ' 70' ' ' LEU . 12.7 t90 -97.42 154.92 17.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.06 117.4 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.4 p -69.44 169.54 12.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.518 ' O ' HD12 ' A' ' 103' ' ' ILE . 10.4 tmtt? -61.15 -65.29 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.416 ' O ' HD13 ' A' ' 103' ' ' ILE . 2.0 t30 -38.53 -25.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 99' ' ' LYS . 18.5 m -94.88 -39.31 10.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' LYS . 14.6 ptt85 -45.34 -37.83 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 99' ' ' LYS . 2.9 mp -35.36 119.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.63 147.57 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.6 tt -55.28 133.13 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.6 m 54.5 45.19 27.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.01 151.4 28.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -37.99 8.4 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.7 t -99.46 84.84 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.7 t -130.97 163.89 26.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.496 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 t -51.65 141.51 16.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.381 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -172.94 131.78 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.06 114.69 4.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -120.64 -60.93 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.905 0.383 . . . . 0.0 110.881 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -71.08 -63.21 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.48 -87.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.54 95.81 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -135.96 174.16 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.6 t -64.54 143.43 57.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.878 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -94.35 4.52 53.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.9 t -113.36 -45.61 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 p -105.67 -28.57 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.8 t0 72.86 46.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -138.53 148.14 57.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.77 -46.69 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.9 -123.22 0.71 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -103.78 138.69 40.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.846 HD13 ' NE2' ' A' ' 22' ' ' GLN . 4.4 mm? -93.42 -32.27 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -71.89 -55.16 8.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -48.77 -45.31 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.846 ' NE2' HD13 ' A' ' 19' ' ' LEU . 13.9 pt20 -72.47 167.54 20.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 37.5 m-85 -106.33 160.44 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.402 ' O ' ' CD2' ' A' ' 24' ' ' PHE . 9.1 t80 -124.99 108.46 11.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -56.38 154.47 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -100.91 -32.11 10.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.7 m -70.97 -65.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -86.8 -44.86 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.64 40.39 4.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.47 177.41 5.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 4.0 m-70 -122.78 142.13 51.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.878 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 99.4 m-85 -153.81 125.34 7.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -70.75 157.81 37.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.97 -32.3 80.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ASP . 9.9 ttm -79.76 -53.11 7.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.7 m -40.59 -41.68 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.634 HD13 ' HB3' ' A' ' 32' ' ' TYR . 9.5 mp -94.56 -17.32 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' MET . 1.7 m-20 70.28 43.73 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.6 mt -107.3 148.11 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.37 110.35 19.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.038 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.26 115.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.3 p -131.25 155.95 80.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.23 2.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 75' ' ' CYS . 4.3 tt -102.68 -49.28 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -62.39 -48.72 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -40.6 -42.54 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.1 100.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.43 46.2 52.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.56 ' CH2' ' HA ' ' A' ' 51' ' ' CYS . 67.1 t90 -45.45 155.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.687 0.279 . . . . 0.0 110.951 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -125.22 125.66 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 3.4 p -71.9 157.7 89.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.652 0.739 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.76 -5.86 17.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 10.5 mm-40 -96.08 -18.26 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 68.7 m -113.1 -30.05 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -57.91 146.96 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.466 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 13.4 m -157.97 167.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.2 t -56.39 152.86 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -108.01 -18.62 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -83.55 -46.07 12.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.4 p -107.5 -30.81 8.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm 67.34 50.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -135.44 111.69 9.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.6 p -81.45 127.74 33.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.91 -55.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 65' ' ' GLU . 21.4 mp0 -94.86 87.17 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.02 -53.47 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -48.64 -58.69 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -59.74 -41.79 91.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.7 ttm -48.2 124.2 7.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.81 HD21 HG13 ' A' ' 91' ' ' VAL . 6.4 mt -87.59 111.72 21.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.403 ' CG1' ' OD1' ' A' ' 76' ' ' ASP . 89.5 t -86.65 100.38 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.5 t -48.06 125.94 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.73 25.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.8 m -129.43 -49.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.821 ' HA ' HD22 ' A' ' 44' ' ' LEU . 24.1 p -113.59 -28.01 7.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.403 ' OD1' ' CG1' ' A' ' 71' ' ' VAL . 36.4 t70 63.42 53.66 2.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -88.18 -59.71 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.97 113.27 2.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -146.58 120.68 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.941 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -60.8 177.73 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.0 p -89.88 -25.82 20.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.488 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 3.9 p90 -107.79 23.45 14.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 28.8 m -120.48 -17.04 8.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' PRO . 27.2 mt -77.1 160.33 29.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 5.1 pt20 -130.16 101.11 18.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.79 -178.2 16.26 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.351 -0.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.488 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -91.81 158.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.571 ' HE2' ' CD1' ' A' ' 96' ' ' TRP . 19.0 mmm -102.49 79.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 88' ' ' MET . 40.1 mmtm -32.94 -40.48 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.7 m -138.45 179.46 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.81 HG13 HD21 ' A' ' 70' ' ' LEU . 42.0 t -112.75 121.34 38.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.636 0.731 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 94' ' ' ASN . 53.5 Cg_endo -69.79 -2.51 10.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.79 ' H ' HG12 ' A' ' 91' ' ' VAL . 75.4 p 33.48 35.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 92' ' ' PRO . 4.5 m120 -127.31 45.63 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.39 69.79 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.463 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 88' ' ' MET . 67.6 t90 -70.18 150.78 46.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -129.17 128.9 44.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.2 p -72.22 143.89 48.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.477 ' CE ' HD11 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -40.83 -61.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.419 ' N ' ' HD3' ' A' ' 99' ' ' LYS . 3.0 t-20 -36.47 -38.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 20.4 m -81.4 -49.41 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 103' ' ' ILE . 9.4 mtp-105 -46.17 -34.67 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.477 HD11 ' CE ' ' A' ' 99' ' ' LYS . 38.1 mm -32.31 121.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.0 t -93.59 159.67 15.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.9 mm -98.58 104.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.5 t -102.85 82.67 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -114.13 -172.59 17.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.3 m -109.52 124.49 51.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.0 p -46.12 170.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.067 -0.852 . . . . 0.0 112.503 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -150.85 119.69 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -75.88 177.87 6.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.83 61.33 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.4 p -124.67 154.41 40.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p -102.49 -51.2 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.45 147.26 21.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.889 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . . . -91.74 93.95 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -92.84 167.18 12.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 35.9 t -59.4 122.04 12.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.838 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -74.35 5.0 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.35 -40.2 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.2 p -120.05 -21.5 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' CYS . 41.0 t0 62.54 49.82 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.7 m -128.73 117.19 19.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.8 -7.3 20.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -27.98 -90.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.536 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -91.28 126.46 36.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.6 mm? -94.55 -42.58 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ASP . 7.6 mp -65.01 -53.87 39.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LEU . 1.5 m-20 -37.73 -52.2 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.567 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 2.3 pt20 -76.94 133.4 39.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.574 ' HB2' ' CE3' ' A' ' 49' ' ' TRP . 10.1 m-85 -68.12 178.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -133.01 124.09 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.9 t -84.31 154.96 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.5 p -104.35 -32.02 9.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.0 m -69.75 -67.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.5 p -84.52 -43.14 14.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.52 35.87 6.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -102.81 165.24 11.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.889 ' CE1' ' HB3' ' A' ' 8' ' ' ALA . 25.5 m170 -116.82 149.79 39.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.838 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 86.3 m-85 -151.46 121.18 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 28.6 m170 -64.07 139.63 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.14 -23.81 62.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 30.5 ttp -87.95 -46.05 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.9 m -52.9 -31.02 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -100.88 1.11 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 61.53 31.41 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.8 mt -107.68 137.0 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.6 102.27 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' CE1' ' A' ' 23' ' ' PHE . 6.7 p -61.79 107.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 43' ' ' PRO . 23.7 p -105.72 158.17 32.95 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 111.177 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 42' ' ' THR . 53.8 Cg_endo -69.69 -4.21 13.52 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.533 HD23 HG22 ' A' ' 74' ' ' THR . 19.2 tp -105.63 -20.21 13.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.698 ' HZ1' ' N ' ' A' ' 74' ' ' THR . 1.1 ttmm -79.21 -53.0 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LYS . 80.1 mtp180 -35.22 -52.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.72 123.87 16.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.37 60.48 4.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CE3' ' HB2' ' A' ' 23' ' ' PHE . 70.0 t90 -91.01 141.6 28.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.713 0.292 . . . . 0.0 110.908 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -125.7 109.36 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.6 p -43.85 156.59 0.3 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -10.96 29.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.58 -14.71 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.623 ' O ' HG13 ' A' ' 56' ' ' VAL . 66.6 m -115.64 -53.49 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 54' ' ' CYS . 13.5 pttp -31.9 138.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 54' ' ' CYS . 5.1 m -141.21 178.84 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.3 t -69.55 153.13 43.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -110.05 -15.11 14.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -84.75 -41.88 15.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.2 p -113.46 -27.76 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 67.51 54.83 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 1.3 pt20 -140.41 123.98 17.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.3 p -95.31 114.21 25.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.42 -57.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 77.8 mm-40 -80.0 47.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.98 -61.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.9 m -40.59 -56.05 2.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -62.03 -34.47 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.7 ttm -64.86 126.03 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.512 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 4.5 mp -83.16 144.61 29.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.3 t -111.5 101.93 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 42.0 t -52.79 129.82 31.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.56 24.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.698 ' N ' ' HZ1' ' A' ' 45' ' ' LYS . 27.2 m -130.58 -43.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.07 -38.31 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t70 73.32 54.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -86.4 -68.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.28 116.39 2.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -146.4 122.11 10.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.473 ' CD2' ' HB2' ' A' ' 65' ' ' GLU . 38.1 m80 -59.25 137.69 57.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.463 HG22 HD11 ' A' ' 70' ' ' LEU . 4.7 p -45.04 -47.34 11.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 12.1 p90 -70.66 -23.83 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 39.9 m -83.46 21.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -117.65 142.51 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.453 ' CD ' ' O ' ' A' ' 85' ' ' GLN . 2.5 pp0? -124.23 106.56 30.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.8 Cg_endo -69.81 171.03 55.79 Favored 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.351 0.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 88' ' ' MET . 3.2 t -81.83 153.37 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.468 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 94.7 mtp -101.68 100.63 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -47.33 -43.21 22.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.3 p -132.34 177.75 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.571 HG13 ' HD2' ' A' ' 92' ' ' PRO . 79.3 t -108.63 136.15 19.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.0 Cg_endo -69.74 171.34 14.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.723 2.282 . . . . 0.0 112.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.1 t -122.88 -17.4 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -97.21 51.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.11 135.14 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' A' ' 70' ' ' LEU . 50.4 t90 -108.4 145.03 35.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -126.69 124.54 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.7 167.55 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 102' ' ' ARG . 26.7 tttt -67.57 -59.18 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -40.88 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 99' ' ' LYS . 7.3 m -95.72 -31.15 13.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 99' ' ' LYS . 6.5 ptm180 -51.22 -33.96 30.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.3 mp -43.61 129.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 27.0 p -74.04 165.57 24.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.2 tt -133.5 145.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -48.45 101.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -155.71 147.62 16.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -176.39 1.48 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.3 t -110.89 -45.13 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.8 m -108.47 -60.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.499 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -126.26 83.07 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -104.49 121.75 44.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.04 -66.87 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -99.44 125.26 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -43.41 153.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.9 78.23 1.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.08 27.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 111.064 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -95.59 162.88 13.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.9 t -56.83 120.13 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -72.29 6.36 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -113.48 -53.15 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 19.0 p -102.35 -5.08 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 13' ' ' CYS . 3.5 p30 49.7 41.57 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -138.41 142.32 34.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.651 0.739 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.75 -51.6 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 32.99 -130.81 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -82.87 117.15 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.28 -29.42 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.65 -28.94 9.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -110.03 35.79 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.461 ' CG ' ' CD2' ' A' ' 33' ' ' HIS . 20.6 mt-30 -113.76 123.56 50.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.6 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 72.7 m-85 -71.33 162.83 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -136.57 115.75 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.8 t -71.35 153.79 42.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.8 p -98.18 -27.24 14.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.8 m -77.18 -65.34 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 p -87.03 -45.14 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.47 40.67 4.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -95.7 175.2 6.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.616 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 6.5 m-70 -126.32 149.93 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 4.4 m-85 -154.4 148.97 26.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CD2' ' CG ' ' A' ' 22' ' ' GLN . 34.1 m80 -89.54 155.37 19.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.8 -29.01 74.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.9 ttm -86.28 -44.04 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.0 m -52.14 -35.08 47.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -110.45 1.09 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 54.69 44.41 28.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -102.21 141.3 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.78 101.83 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.73 122.54 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.8 147.87 50.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.149 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.53 3.43 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.8 tp -103.14 -32.65 9.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 46' ' ' ARG . 27.5 ttmt -83.34 -49.69 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 45' ' ' LYS . 15.5 mtp-105 -33.0 -37.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . -74.46 122.69 23.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 45.06 60.58 3.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.6 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 49.2 t90 -78.94 147.98 32.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -118.66 112.6 20.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.596 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 2.4 p -63.37 156.85 67.92 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.7 Cg_endo -69.79 -1.87 9.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -98.1 -17.98 18.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.8 m -118.41 -28.11 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HE2' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -53.85 150.02 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 55' ' ' LYS . 27.5 m -160.93 162.63 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 59' ' ' ASN . 41.8 t -67.13 115.55 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.16 -17.97 60.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 57' ' ' CYS . 6.6 m120 -67.76 -54.1 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.1 p -102.89 -12.02 17.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 65.36 48.43 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -141.08 136.14 31.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.478 ' CB ' HG12 ' A' ' 56' ' ' VAL . 81.7 p -83.21 6.72 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -74.08 -176.27 34.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 42.68 53.6 4.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 69' ' ' MET . 0.9 OUTLIER -64.43 -49.11 72.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -48.45 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' MET . 60.4 mttm -58.29 -41.0 83.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.1 ttt -33.03 132.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.713 HD11 HG22 ' A' ' 81' ' ' THR . 12.9 mt -104.02 107.46 18.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.689 HG22 ' HE2' ' A' ' 55' ' ' LYS . 67.1 t -82.89 114.14 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.51 127.0 29.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.23 26.41 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 32.4 m -132.01 -47.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 22.1 p -115.28 -32.98 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 t70 65.04 54.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -88.88 -52.79 4.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.88 111.84 2.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.538 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -146.44 122.41 10.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.882 0.373 . . . . 0.0 110.93 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 46.8 m170 -66.02 167.93 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.713 HG22 HD11 ' A' ' 70' ' ' LEU . 24.4 p -80.76 -32.85 35.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.161 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -99.23 24.7 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 80' ' ' HIS . 52.8 m -124.89 -22.02 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.552 ' O ' HG13 ' A' ' 87' ' ' VAL . 24.0 mt -69.64 164.99 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 77.9 mt-30 -137.2 101.64 9.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.5 Cg_endo -69.74 174.61 39.79 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.316 0.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -90.09 160.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' LYS . 6.9 mmm -105.99 77.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -35.02 -38.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 p -123.32 173.93 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.655 HG13 ' HD2' ' A' ' 92' ' ' PRO . 99.4 t -109.14 139.16 20.73 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.655 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.76 176.76 6.34 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.4 m -127.11 -55.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -53.48 -54.4 37.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.16 140.62 3.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.452 ' HB2' ' CG ' ' A' ' 92' ' ' PRO . 40.5 t90 -111.68 158.5 19.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -153.98 131.45 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.5 p -69.09 168.91 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 47.5 tttt -73.57 -48.98 28.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -48.56 -23.06 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 10.0 m -95.85 -46.78 6.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 103' ' ' ILE . 1.4 ptm180 -47.46 -29.9 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' ARG . 41.2 mm -35.56 136.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 66.0 m 60.16 45.25 11.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 106' ' ' SER . 7.1 tp -42.03 -42.6 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.445 ' N ' HG23 ' A' ' 105' ' ' ILE . 1.8 t -148.22 115.29 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.85 157.96 1.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 150.14 67.82 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.5 m -112.41 159.77 18.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.8 t -117.92 94.28 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.428 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -65.81 147.58 53.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -70.95 137.23 49.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.17 159.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 t -124.5 85.31 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.92 155.52 8.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.55 -148.74 5.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.55 26.68 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -99.43 176.73 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 6.5 t -69.36 132.36 46.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.596 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -86.91 6.33 32.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -113.29 -43.83 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.3 p -109.29 -27.47 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 9.3 t70 72.51 47.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.5 m -137.45 140.99 32.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.692 0.758 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLY . 54.1 Cg_endo -69.78 -51.12 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.94 -116.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.88 128.67 55.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.23 -40.31 10.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.6 mt -64.23 -40.54 96.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -65.54 -46.1 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -78.76 147.41 33.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.553 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 90.5 m-85 -66.57 159.8 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -136.19 119.8 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.4 t -66.69 156.43 35.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -106.76 -30.82 8.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.5 m -71.39 -63.04 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -86.43 -41.43 14.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.63 39.11 5.07 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 11' ' ' ALA . 18.3 mm100 -97.22 176.99 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -133.95 144.3 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 60.0 m-85 -150.46 121.35 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -67.61 141.12 56.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.78 -35.4 17.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -50.34 16.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.9 m -50.21 -33.73 20.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 37' ' ' LEU . 11.2 mt -97.46 -22.15 16.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 73.33 42.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.0 mt -113.22 139.94 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.76 103.44 6.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.34 128.54 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.33 151.14 63.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.33 4.54 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.7 HD23 ' CG2' ' A' ' 74' ' ' THR . 14.0 tp -102.44 -45.35 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.3 ttmp? -69.62 -52.5 25.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LYS . 17.5 mtp-105 -34.56 -45.62 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.08 101.7 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.57 49.74 5.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.553 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 91.4 t90 -83.56 152.61 24.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.698 0.285 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -139.02 134.63 33.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 1.8 p -71.16 157.68 89.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.8 Cg_endo -69.75 -10.06 27.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.24 -21.98 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.58 ' O ' HG13 ' A' ' 56' ' ' VAL . 88.3 m -110.73 -29.71 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.99 136.47 41.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.799 HG12 ' HB2' ' A' ' 63' ' ' SER . 5.2 m -142.98 151.89 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.1 t -57.72 114.76 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -71.68 -19.17 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 83' ' ' CYS . 8.7 m120 -67.12 -56.36 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 28.6 p -108.7 12.96 25.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm 46.95 53.2 10.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.449 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 58.0 mm-40 -148.75 149.25 31.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.799 ' HB2' HG12 ' A' ' 56' ' ' VAL . 9.3 t -97.03 -10.78 25.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.29 -170.53 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 40.88 50.06 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' MET . 42.5 m-20 -58.62 -57.92 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.4 m -41.29 -59.47 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -62.81 -40.25 96.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.402 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 3.7 ttt -42.66 132.11 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.49 HD11 HG22 ' A' ' 81' ' ' THR . 8.7 mt -105.59 111.14 23.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.4 t -88.19 114.36 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.447 ' HB3' ' N ' ' A' ' 76' ' ' ASP . 10.4 t -57.55 164.66 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -103.53 -33.05 9.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.7 ' CG2' HD23 ' A' ' 44' ' ' LEU . 18.5 m -83.24 -65.94 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 11.8 p -88.18 -16.47 33.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' N ' ' HB3' ' A' ' 72' ' ' CYS . 5.2 m-20 43.62 54.84 5.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.66 -75.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.62 112.3 2.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -146.6 132.13 18.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 110.943 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 83' ' ' CYS . 22.8 m170 -70.27 153.61 42.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.49 HG22 HD11 ' A' ' 70' ' ' LEU . 19.0 p -61.27 -57.22 13.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -64.8 -3.68 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 59' ' ' ASN . 26.0 m -101.53 -7.24 22.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 86' ' ' PRO . 67.6 mt -85.75 145.28 27.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 15.5 pt20 -123.24 102.46 36.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.77 177.26 29.49 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.336 0.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.17 143.31 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.8 mmm -73.52 130.14 39.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -68.28 -32.59 72.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.9 m -146.56 172.5 13.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.98 129.3 27.54 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.427 ' HD2' HD21 ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.77 150.43 68.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.236 . . . . 0.0 112.341 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 94' ' ' ASN . 9.3 t -71.38 -43.2 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.455 ' N ' HG23 ' A' ' 93' ' ' THR . 13.0 t30 -170.55 155.93 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.86 48.98 5.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -101.4 139.82 36.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -132.51 127.86 36.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.25 171.34 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' ARG . 58.5 tttp -63.8 -69.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 99' ' ' LYS . 2.2 t-20 -34.12 -37.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.8 m -75.74 -48.37 22.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 99' ' ' LYS . 5.8 ptt180 -57.29 -29.66 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 102' ' ' ARG . 26.4 mm -35.35 130.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.2 t -76.58 96.77 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.7 mt -95.88 129.39 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.3 t -105.94 164.33 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -88.68 124.49 7.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 158.56 56.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 56.0 m 56.39 42.1 28.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.6 m -73.74 163.03 28.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.473 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -62.26 100.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.912 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.7 p -70.22 104.57 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.87 75.2 1.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -109.08 -56.53 2.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -71.65 125.73 27.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.76 -135.83 3.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' HB1' ' NE2' ' A' ' 31' ' ' HIS . . . -69.02 101.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.336 . . . . 0.0 111.068 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -138.3 162.29 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 14' ' ' ASP . 33.9 t -50.99 121.68 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.594 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -70.4 0.72 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.07 -40.75 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 14' ' ' ASP . 14.8 p -121.61 20.36 11.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 13' ' ' CYS . 1.3 p30 32.89 41.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.91 143.99 49.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.653 0.739 . . . . 0.0 110.867 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -44.28 2.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.7 -142.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -73.27 130.22 39.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -90.97 -27.51 18.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.3 mt -85.5 -55.57 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -49.36 -42.31 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.15 171.62 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.585 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 42.6 m-85 -109.74 150.57 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 25' ' ' CYS . 14.8 t80 -122.42 113.72 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.429 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 48.9 t -64.54 154.59 35.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.3 p -100.42 -28.84 12.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.7 m -74.78 -62.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 p -89.26 -45.47 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.13 41.65 5.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -91.73 178.87 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' NE2' ' HB1' ' A' ' 8' ' ' ALA . 7.0 m-70 -124.09 131.32 53.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 93.3 m-85 -143.26 122.65 13.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -69.64 166.46 19.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.01 -22.7 62.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.8 mmt -94.82 -39.01 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 m -56.46 -35.94 68.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.496 HD12 ' HB3' ' A' ' 32' ' ' TYR . 13.1 mt -100.08 -0.58 38.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 60.93 40.45 15.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.7 mt -106.45 141.27 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.17 106.26 15.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.4 124.96 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.404 ' CG2' ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -140.1 147.16 49.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.537 0.684 . . . . 0.0 111.15 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 1.26 4.61 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' CD2' HG22 ' A' ' 74' ' ' THR . 9.3 tp -101.48 -33.54 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' CE ' ' HB2' ' A' ' 76' ' ' ASP . 38.0 mttp -82.24 -55.61 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LYS . 61.4 mtp180 -33.78 -55.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.0 107.69 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.12 49.9 49.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.585 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 84.6 t90 -82.11 160.73 23.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.666 0.27 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 13.3 mt-30 -138.21 138.23 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.538 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.9 p -78.18 156.32 79.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.6 Cg_endo -69.79 -3.64 12.43 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 7.0 mm-40 -96.09 -15.02 22.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.593 ' O ' HG13 ' A' ' 56' ' ' VAL . 86.9 m -121.01 -45.35 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 54' ' ' CYS . 18.2 ptmt -29.87 143.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 54' ' ' CYS . 17.0 m -144.26 175.91 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.1 t -69.34 151.46 46.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -104.68 -13.37 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -88.05 -46.7 9.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.7 p -103.14 -31.72 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt 67.98 44.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -138.39 112.2 8.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.9 p -73.5 129.21 37.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -177.66 -58.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -96.1 109.21 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.7 -54.63 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.8 m -47.07 -62.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -57.41 -40.59 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.509 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 12.4 ttm -55.43 115.34 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.9 mt -71.04 140.28 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.4 t -113.01 100.72 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.62 163.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -107.43 -25.63 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.484 HG22 ' CD2' ' A' ' 44' ' ' LEU . 33.1 m -86.87 -59.32 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 19.2 p -84.79 -27.47 26.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.487 ' HB2' ' CE ' ' A' ' 45' ' ' LYS . 26.5 t70 65.5 53.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -117.61 173.63 6.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.22 134.74 12.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -146.53 113.24 6.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 34.4 m170 -68.0 147.07 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.525 ' C ' HG23 ' A' ' 87' ' ' VAL . 35.4 p -62.7 -53.82 48.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -60.56 -29.97 69.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 80' ' ' HIS . 12.2 m -69.06 -24.36 64.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' PRO . 59.8 mt -75.66 144.02 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 2.6 pt20 -125.62 103.5 28.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.65 0.738 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.6 Cg_endo -69.78 -179.14 18.37 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.349 -0.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.525 HG23 ' C ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -97.84 141.93 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.494 ' O ' HG22 ' A' ' 87' ' ' VAL . 6.2 mmm -63.44 165.81 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -109.8 -41.53 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.9 m -132.69 177.34 7.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.1 t -107.34 120.45 47.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -173.83 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.629 2.22 . . . . 0.0 112.359 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 93' ' ' THR . 7.0 t -116.61 103.27 10.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 93' ' ' THR . 68.4 m-80 33.02 43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -149.93 44.41 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 57.1 t90 -110.89 155.59 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -139.18 119.4 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 101' ' ' CYS . 15.1 p -71.45 146.79 48.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -46.41 -31.93 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.65 -32.47 72.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 98' ' ' CYS . 9.3 m -89.04 -50.29 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 103' ' ' ILE . 19.4 ptt180 -42.99 -30.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 102' ' ' ARG . 23.0 mm -34.81 134.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.6 m -67.96 110.25 3.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 50.1 mm -85.02 -44.66 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.7 t -45.24 110.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 108' ' ' PRO . . . 165.91 -139.31 5.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 107' ' ' GLY . 53.8 Cg_endo -69.75 87.55 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.8 p -49.94 -28.03 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 75.0 m -78.95 169.05 18.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.486 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -155.74 134.14 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -75.27 115.23 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.09 131.89 3.34 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -155.12 167.56 29.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 t -127.01 147.39 50.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -176.99 146.07 7.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.436 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 67.48 27.44 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -96.03 175.64 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.532 ' SG ' HG23 ' A' ' 12' ' ' VAL . 1.7 t -58.96 141.04 54.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.67 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -94.77 5.95 50.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.582 HG21 ' HB3' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -120.69 -33.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.11 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 p -117.04 -18.14 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 5.1 t70 60.94 44.2 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.93 144.15 52.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.76 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.58 -119.22 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.489 ' CB ' ' OD2' ' A' ' 21' ' ' ASP . 17.3 m-20 -105.69 114.25 28.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.83 -42.77 57.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.91 -32.76 74.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 18' ' ' ASP . 85.7 m-20 -70.48 -44.96 66.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 15.4 pt20 -76.99 135.17 38.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.531 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 38.1 m-85 -63.18 161.34 13.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -133.88 103.68 5.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.2 t -58.14 150.81 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.9 p -100.5 -29.24 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -71.23 -64.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -84.41 -39.08 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.97 36.44 6.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 11' ' ' ALA . 29.5 mm100 -100.72 170.53 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.586 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 3.6 m-70 -130.94 151.56 51.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 4.1 m-85 -153.55 133.03 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.456 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 33.1 m80 -72.58 138.05 46.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.66 -19.14 12.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 36' ' ' CYS . 4.6 ppp? -93.46 -43.4 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.582 ' HB3' HG21 ' A' ' 12' ' ' VAL . 52.7 m -56.09 -35.02 66.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD12 ' CB ' ' A' ' 32' ' ' TYR . 13.6 mt -105.86 -11.02 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 70.67 37.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -100.81 137.5 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.15 119.48 25.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.22 115.87 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -125.78 154.64 73.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -10.68 29.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.467 HD23 HG22 ' A' ' 74' ' ' THR . 14.5 tp -91.25 -51.23 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' ARG . 42.5 mttt -57.68 -60.99 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' LYS . 58.5 mtp85 -35.15 -41.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 73.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 81.73 36.74 18.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.56 ' CZ2' ' HA ' ' A' ' 51' ' ' CYS . 49.5 t90 -40.12 159.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.713 0.292 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -135.35 109.16 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.9 p -55.24 156.0 8.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.46 14.08 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.38 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -95.23 -19.65 19.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.559 ' O ' HG13 ' A' ' 56' ' ' VAL . 95.4 m -113.06 -26.56 8.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -53.22 138.21 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 54' ' ' CYS . 15.1 m -144.64 175.77 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 52.8 t -69.47 149.95 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -105.58 -21.66 13.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -73.53 -48.82 30.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 p -103.36 -12.14 17.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 1.9 mmmp? 56.86 54.96 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 61' ' ' LYS . 81.5 mm-40 -154.37 158.6 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 p -112.72 120.07 40.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.18 -117.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -47.94 108.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.22 -50.43 6.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -49.1 -44.17 41.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -96.3 38.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.475 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 1.6 ttt -118.42 105.72 11.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.507 HD12 ' CD1' ' A' ' 84' ' ' LEU . 90.8 mt -64.73 130.31 43.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.8 t -113.64 111.03 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.9 t -51.85 161.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.55 -35.25 8.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.467 HG22 HD23 ' A' ' 44' ' ' LEU . 50.1 m -75.46 -71.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.0 p -77.63 -32.13 53.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 70.77 54.89 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 21.0 mttm -112.06 139.47 47.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.38 137.23 25.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.506 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 81.4 m-85 -147.19 113.81 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.478 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 36.7 m80 -67.86 149.14 50.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 87' ' ' VAL . 18.3 p -65.55 -49.53 68.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -68.78 -1.87 8.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 m -99.95 -14.26 18.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.507 ' CD1' HD12 ' A' ' 70' ' ' LEU . 92.4 mt -89.35 141.23 28.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 48.2 tt0 -118.99 107.15 42.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.76 175.86 34.87 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.38 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -92.18 136.14 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.3 mmm -75.41 143.38 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -87.51 -36.75 17.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 62.3 m -142.38 170.58 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.3 t -95.99 118.62 65.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.46 11.11 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.7 p -91.6 41.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -128.18 -57.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.41 109.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -107.37 140.8 39.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -128.32 128.38 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.6 p -74.5 147.57 41.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.86 ' O ' HD12 ' A' ' 103' ' ' ILE . 29.3 tptt -43.99 -63.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.52 ' O ' HD13 ' A' ' 103' ' ' ILE . 4.5 m-80 -38.16 -26.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' LYS . 9.9 m -94.4 -46.62 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 103' ' ' ILE . 56.4 mtp180 -40.15 -43.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 99' ' ' LYS . 4.2 mp -31.64 126.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.0 m -79.26 177.75 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 105' ' ' ILE . 18.4 mm 61.05 53.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.5 p -143.19 174.56 10.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.47 176.16 24.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -3.01 11.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.721 2.28 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.8 m -63.76 -60.3 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -113.08 137.13 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.452 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 t -127.55 111.13 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -38.17 156.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.84 112.8 2.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 p -119.67 -43.9 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -133.05 115.33 15.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.94 177.48 18.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' HB1' ' NE2' ' A' ' 31' ' ' HIS . . . -75.31 94.04 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -129.34 178.39 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 18.0 t -63.76 144.17 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.596 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -94.07 5.33 52.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -116.29 -49.33 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -101.4 -19.51 15.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 63.99 47.05 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -143.22 149.3 47.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.679 0.752 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.49 -128.65 5.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' OD2' ' OD2' ' A' ' 21' ' ' ASP . 7.1 t0 -102.85 102.8 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.45 -23.51 66.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.73 -27.85 69.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD2' ' OD2' ' A' ' 18' ' ' ASP . 7.1 m-20 -108.68 31.25 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.525 ' CG ' ' CD2' ' A' ' 33' ' ' HIS . 16.3 mt-30 -118.32 133.27 56.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.59 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 65.5 m-85 -83.22 138.71 33.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -112.91 139.47 48.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.8 t -95.11 149.94 20.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.1 p -97.1 -22.61 16.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 m -80.6 -70.79 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 19.6 p -83.09 -46.58 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.428 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 98.69 44.83 2.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' OE1' ' HB2' ' A' ' 11' ' ' ALA . 4.6 mm-40 -100.67 172.37 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.597 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 3.4 m-70 -126.11 149.9 48.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 31' ' ' HIS . 15.2 m-85 -153.84 138.65 17.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CD2' ' CG ' ' A' ' 22' ' ' GLN . 49.9 m80 -83.14 150.6 26.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.77 -26.54 65.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.2 mmt -89.96 -37.89 14.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.333 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.7 m -58.06 -35.07 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' A' ' 32' ' ' TYR . 15.6 mt -107.81 -9.8 15.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 70.78 38.52 1.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.8 mt -101.22 138.18 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.06 106.25 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.607 HG11 ' NH2' ' A' ' 46' ' ' ARG . 95.1 t -50.81 122.3 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 p -138.91 155.04 73.2 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.575 0.702 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 3.58 2.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.307 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.3 tp -102.49 -51.3 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' ARG . 17.7 mtmt -61.53 -57.81 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.607 ' NH2' HG11 ' A' ' 41' ' ' VAL . 67.2 mtt180 -34.59 -44.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.96 85.19 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.99 37.38 1.85 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 64.8 t90 -88.23 141.22 28.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.73 0.3 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -130.83 108.67 10.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.571 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 1.6 p -41.05 157.15 0.2 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.5 Cg_endo -69.8 -7.08 20.17 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -96.07 -9.99 29.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 89.5 m -125.66 -23.76 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.645 ' NZ ' HG13 ' A' ' 71' ' ' VAL . 18.8 ptmt -51.89 152.0 3.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 55' ' ' LYS . 30.4 m -158.53 168.03 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 17.6 t -55.92 152.57 9.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 76.7 mm-40 -104.56 -14.17 15.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -87.19 -56.34 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 22.6 p -95.29 -25.29 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 64.37 47.99 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -136.48 126.25 25.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 p -89.15 128.5 35.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.44 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.42 120.48 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' SER . 9.2 p-10 -96.98 -61.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' ASP . 56.7 m -37.78 -62.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.0 -40.92 77.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.2 ttm -50.96 116.15 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 mt -84.84 103.92 14.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.645 HG13 ' NZ ' ' A' ' 55' ' ' LYS . 94.9 t -76.55 115.59 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.4 t -65.6 163.8 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -104.56 -38.17 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 m -73.58 -60.03 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.08 -27.2 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.84 42.67 28.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' HE3' ' A' ' 55' ' ' LYS . 8.7 mptt -85.35 -65.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.16 124.67 2.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 58' ' ' GLN . 36.6 m-85 -146.88 125.38 12.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 30.2 m170 -63.49 170.95 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 87' ' ' VAL . 18.3 p -80.97 -28.2 35.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.48 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -103.93 25.83 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.5 m -124.0 -16.97 6.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' PRO . 23.4 mt -78.79 152.02 31.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 17.6 pt20 -123.91 101.64 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.2 Cg_endo -69.77 175.88 34.84 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.294 0.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -85.46 159.99 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 89' ' ' LYS . 7.5 mmm -102.98 70.66 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -35.57 -34.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' MET . 58.2 m -126.05 174.83 8.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 92' ' ' PRO . 86.3 t -109.75 137.53 20.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.667 0.746 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.603 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.7 174.08 9.99 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 81.3 m -86.22 -63.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.47 140.78 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.72 65.83 1.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -107.4 158.05 17.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -148.42 125.18 11.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -72.18 156.58 39.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 102' ' ' ARG . 13.6 tttp -52.84 -61.09 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -40.05 -23.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' LYS . 9.3 m -95.99 -33.26 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.9 ptp180 -54.33 -26.06 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 99' ' ' LYS . 2.0 mp -52.21 134.8 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 41.4 t -78.47 -36.32 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.9 mt -37.55 -59.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -110.09 93.27 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.402 ' HA3' ' HD2' ' A' ' 108' ' ' PRO . . . 157.04 -136.25 4.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 107' ' ' GLY . 53.7 Cg_endo -69.71 179.19 3.84 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.28 . . . . 0.0 112.337 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.1 t -114.54 42.71 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.5 t -109.6 41.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.447 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -164.05 110.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 p -59.98 123.5 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.41 135.09 12.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -67.29 93.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.864 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m -112.86 176.13 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.76 84.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.489 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . . . 60.15 30.16 19.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -70.01 145.23 51.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -50.98 125.93 14.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.616 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -74.2 5.35 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 t -116.33 -37.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 14' ' ' ASP . 14.4 p -124.21 19.26 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 13' ' ' CYS . 29.1 t70 33.01 42.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.95 142.1 44.19 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.684 0.755 . . . . 0.0 110.864 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.54 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.45 -117.71 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -108.38 125.38 51.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.625 HD23 HE21 ' A' ' 22' ' ' GLN . 39.6 mt -88.07 -49.11 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.1 mm? -64.12 -25.12 67.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.77 -36.49 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.625 HE21 HD23 ' A' ' 19' ' ' LEU . 14.1 pt20 -84.61 149.04 26.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.593 ' CB ' ' CE3' ' A' ' 49' ' ' TRP . 31.1 m-85 -75.46 157.62 33.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -130.54 105.48 7.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.0 t -51.32 146.74 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.1 p -102.07 -16.59 16.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -83.51 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.4 p -84.29 -39.56 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.27 30.23 7.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.435 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 9.0 mm-40 -95.51 159.56 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.489 ' CE1' ' HA ' ' A' ' 8' ' ' ALA . 2.2 m80 -120.97 134.66 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.616 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 68.5 m-85 -136.25 129.71 31.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -60.21 162.39 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -82.11 -21.82 60.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.2 ttp -95.34 -44.13 7.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.4 m -52.67 -28.36 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 37' ' ' LEU . 14.9 mt -107.05 -6.02 17.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 70.57 33.55 2.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' GLY . 60.3 mt -102.63 136.73 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.22 118.56 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.29 97.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.6 p -115.3 155.38 47.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.93 2.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.699 ' O ' HD23 ' A' ' 44' ' ' LEU . 3.6 tt -101.84 -50.17 3.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 13.2 mtmt -62.87 -56.12 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 mtp-105 -39.97 -34.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.02 81.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.0 42.8 35.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CE3' ' CB ' ' A' ' 23' ' ' PHE . 85.5 t90 -63.11 134.53 56.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -115.72 123.82 49.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.591 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.1 p -50.63 158.89 0.99 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.4 Cg_endo -69.79 -11.09 30.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 7.2 mm-40 -89.31 -16.52 30.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 80.6 m -114.16 -24.72 8.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.69 ' NZ ' HG13 ' A' ' 71' ' ' VAL . 8.5 tttt -68.42 140.03 55.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 11.0 m -157.42 169.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 45.3 t -55.61 126.07 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -86.28 -2.0 58.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -89.2 -53.52 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.5 p -105.27 2.24 28.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? 49.83 54.89 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -147.33 160.16 42.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 54.5 p -118.44 20.79 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 63' ' ' SER . . . -53.72 -106.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 69' ' ' MET . 15.9 mm-40 -45.16 114.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' MET . 1.1 p-10 -97.5 -45.52 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.9 t -59.14 -60.46 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -58.21 -38.87 77.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 5.0 ttm -41.56 103.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.684 HD21 ' HD2' ' A' ' 92' ' ' PRO . 15.7 mt -68.77 105.65 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.69 HG13 ' NZ ' ' A' ' 55' ' ' LYS . 84.1 t -88.99 108.12 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.9 t -58.13 158.76 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -102.97 -40.32 6.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.678 HG22 HD13 ' A' ' 44' ' ' LEU . 31.8 m -64.88 -65.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.59 ' HA ' HD22 ' A' ' 44' ' ' LEU . 20.4 p -86.05 -42.1 14.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 72.68 49.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 25.2 mmmt -87.04 -71.3 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 124.26 115.18 2.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -146.7 132.7 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 110.929 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 57' ' ' CYS . 19.8 m170 -73.11 143.65 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.7 p -50.56 -51.39 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.526 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 34.5 p90 -67.64 -16.35 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.526 ' SG ' ' CE1' ' A' ' 82' ' ' PHE . 75.1 m -95.99 18.65 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.8 mt -113.19 153.57 28.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 14.0 pt20 -129.52 104.08 17.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.639 0.733 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.73 178.77 24.22 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.318 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 88' ' ' MET . 2.8 t -85.15 155.21 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.479 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 18.8 mmm -102.28 69.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -38.76 -27.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 88' ' ' MET . 72.5 m -128.62 173.76 10.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' ' 92' ' ' PRO . 57.5 t -107.0 134.99 19.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.684 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.83 115.82 4.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 94' ' ' ASN . 76.3 p -34.07 -51.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 93' ' ' THR . 10.2 m120 -171.82 166.69 6.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.73 60.14 7.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 72.3 t90 -106.93 150.07 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -142.46 127.67 18.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.8 p -70.15 148.94 48.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -48.65 -52.04 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -48.09 -21.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.0 m -94.93 -47.87 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 103' ' ' ILE . 3.5 ptm180 -50.56 -31.87 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 102' ' ' ARG . 11.0 mm -33.8 118.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 86.8 m -88.91 86.04 6.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 tt -82.07 160.71 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.1 p -91.78 179.05 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.54 154.08 25.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.84 22.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 70.2 m -58.93 116.82 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.5 m -63.43 -58.0 8.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.469 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -123.21 146.9 47.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -52.87 -50.17 64.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.14 167.07 23.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t -104.22 102.08 11.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -49.21 -61.98 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.87 93.57 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.47 ' HB1' ' NE2' ' A' ' 31' ' ' HIS . . . -109.33 99.18 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.332 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -132.45 176.88 8.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 34.5 t -70.52 137.08 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.641 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -86.78 5.43 36.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.6 t -113.94 -55.71 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 p -97.38 -25.63 15.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 29.7 m-20 70.72 47.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.9 m -137.9 149.86 65.64 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.66 0.743 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.77 -51.68 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 31.13 -114.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.521 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.78 133.09 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.446 HD13 ' NE2' ' A' ' 22' ' ' GLN . 4.2 mm? -95.53 -46.3 6.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mp -72.62 -54.06 10.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -42.21 -46.16 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.446 ' NE2' HD13 ' A' ' 19' ' ' LEU . 12.6 pt20 -70.87 129.07 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.525 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 29.9 m-85 -65.84 152.45 44.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.473 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 30.1 t80 -119.23 120.59 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.8 t -71.71 157.18 38.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.7 p -102.28 -31.28 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.4 ' HB ' ' SG ' ' A' ' 54' ' ' CYS . 85.2 m -73.13 -62.46 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.0 -46.02 11.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA2' ' CE1' ' A' ' 24' ' ' PHE . . . 92.21 40.5 5.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -100.72 179.66 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.47 ' NE2' ' HB1' ' A' ' 8' ' ' ALA . 1.2 m-70 -128.95 139.65 52.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 82.0 m-85 -143.76 124.45 14.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 10' ' ' CYS . 27.5 m80 -70.3 148.56 48.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.57 -33.18 70.88 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -47.4 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -53.19 -36.53 61.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 mt -95.15 -22.34 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 74.96 42.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.3 mt -110.86 149.16 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 42' ' ' THR . . . -87.36 97.78 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -46.69 111.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 40' ' ' ALA . 35.3 p -124.83 154.19 70.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 111.154 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 4.11 2.4 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -104.03 -44.93 4.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 46' ' ' ARG . 22.4 mttm -64.73 -53.54 45.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 45' ' ' LYS . 47.2 mtp85 -32.08 -55.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.01 123.07 25.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.56 54.59 32.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.525 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 67.7 t90 -95.42 164.13 12.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 8.1 mt-30 -149.84 137.5 20.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.43 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 3.5 p -76.76 156.73 82.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.6 Cg_endo -69.77 -1.47 8.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 4.2 mm-40 -97.56 -20.83 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.611 ' O ' HG13 ' A' ' 56' ' ' VAL . 96.7 m -112.97 -34.86 5.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -51.07 134.35 26.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 54' ' ' CYS . 3.5 m -138.75 166.78 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 47.3 t -57.23 153.63 11.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -105.28 -21.42 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -78.37 -58.24 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.9 p -98.18 -30.19 12.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 57' ' ' CYS . 37.6 mmtt 66.88 48.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -131.84 108.65 9.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.9 p -76.86 127.45 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.11 -59.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 69' ' ' MET . 3.2 mp0 -86.12 92.29 8.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.66 -58.37 3.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -47.47 -65.67 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -47.43 -48.15 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.605 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 2.9 tpp -45.16 111.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.556 ' CD2' HG13 ' A' ' 91' ' ' VAL . 18.2 mt -79.62 117.93 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.6 t -94.4 130.5 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.2 t -70.05 163.66 25.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 2.0 m-20 -101.43 -25.42 13.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.0 m -92.07 -68.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 16.0 p -80.16 -17.77 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.7 t70 58.79 46.19 14.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 1.3 mmpt? -93.02 164.76 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.6 128.03 8.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 96.2 m-85 -147.34 114.94 6.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.903 0.382 . . . . 0.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 27.1 m170 -57.79 135.23 56.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 87' ' ' VAL . 37.0 p -48.11 -40.81 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 6.7 p90 -75.04 -26.1 59.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 89.8 m -86.99 25.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.456 HD11 HD12 ' A' ' 70' ' ' LEU . 71.1 mt -108.62 151.05 26.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 44.3 tt0 -128.47 101.92 20.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 54.1 Cg_endo -69.73 -177.06 13.67 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 -1.818 . . . . 0.0 112.339 -0.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 82' ' ' PHE . 5.9 t -83.95 150.32 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.434 ' HB2' HD12 ' A' ' 84' ' ' LEU . 14.1 mmm -97.43 141.06 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.45 -42.33 9.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.4 p -135.97 175.23 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 70' ' ' LEU . 58.7 t -103.39 123.73 40.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 106.25 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.4 p -59.04 -31.46 68.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.415 ' CG ' ' N ' ' A' ' 95' ' ' GLY . 1.8 p30 -64.92 -48.86 72.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' N ' ' CG ' ' A' ' 94' ' ' ASN . . . 162.2 142.06 3.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -111.66 153.24 26.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -139.1 117.72 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.1 p -69.33 166.41 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -67.8 -38.08 82.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 100' ' ' ASN . 41.0 t-20 -59.67 -26.39 65.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 16.4 m -92.47 -53.38 4.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 103' ' ' ILE . 2.3 ptp180 -42.72 -29.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 102' ' ' ARG . 21.3 mm -33.56 140.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 11.9 m 58.99 49.06 10.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 105' ' ' ILE . 13.7 tt -90.12 116.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.6 t -157.23 140.08 15.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.89 155.52 3.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 153.43 68.92 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.6 t -122.39 114.8 21.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.4 m -101.01 108.29 19.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.509 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -57.64 107.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -153.68 160.53 42.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.61 -55.89 0.22 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p 43.78 41.74 3.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -101.8 41.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.19 -135.21 12.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.37 27.27 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.055 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -91.83 172.46 8.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 6.4 t -64.65 130.26 42.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.455 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . . . -86.01 6.0 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.3 t -112.64 -42.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.5 -28.02 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 14.3 t0 71.29 50.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.1 m -141.45 138.74 17.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.76 -50.07 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 36.69 -124.1 0.91 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.57 135.06 37.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.333 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.45 -45.99 10.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.64 -38.12 89.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -49.31 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.517 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 26.1 pt20 -85.93 150.49 24.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.548 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 70.2 m-85 -81.26 168.26 18.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -136.57 111.13 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.7 t -62.09 157.4 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.6 p -103.87 -37.85 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 95.5 m -66.44 -62.98 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.4 p -87.83 -41.95 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.51 37.55 6.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 22.5 mm100 -93.44 165.29 12.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -119.61 147.17 44.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CB ' HD12 ' A' ' 37' ' ' LEU . 86.6 m-85 -156.93 127.43 6.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.517 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 43.5 m80 -75.92 151.09 37.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.16 -29.95 72.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 36' ' ' CYS . 9.2 ptm -84.37 -34.33 23.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 35' ' ' MET . 12.8 m -66.47 -38.1 86.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 32' ' ' TYR . 12.4 mt -96.97 -18.87 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t0 74.59 43.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mt -111.24 146.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.45 119.95 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.1 t -69.17 119.38 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.3 p -133.96 152.65 78.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.688 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.59 8.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.51 -53.93 3.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' ARG . 27.0 mttp -58.43 -53.0 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . 42.1 mtt180 -33.62 -42.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.66 117.48 7.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 41.53 50.13 4.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 49.1 t90 -70.47 127.06 31.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -105.08 126.81 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.481 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 3.6 p -58.53 158.58 14.69 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.2 Cg_endo -69.87 -3.02 11.25 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -97.84 -11.04 23.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.763 ' O ' HG13 ' A' ' 56' ' ' VAL . 87.6 m -120.57 -42.48 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' CYS . 8.2 pttm -34.4 135.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.814 HG12 ' HB3' ' A' ' 63' ' ' SER . 31.8 m -140.75 172.09 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' LYS . 49.1 t -67.27 108.43 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -66.19 -20.77 66.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.05 -56.61 7.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 25.7 p -105.78 15.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' CYS . 25.2 mmtp 39.66 47.6 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 45.3 mm-40 -146.8 162.87 37.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.814 ' HB3' HG12 ' A' ' 56' ' ' VAL . 12.5 p -129.57 130.97 46.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.74 -118.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -39.13 105.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -70.38 -40.94 73.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -68.59 -51.24 44.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -59.32 -45.24 91.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.61 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -49.62 146.55 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.79 HD13 ' NE1' ' A' ' 96' ' ' TRP . 8.8 mt -112.41 151.07 30.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.11 140.12 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' ASP . 6.5 t -88.49 136.89 32.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -88.42 8.09 29.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.7 m -117.81 -61.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.96 -22.06 21.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 72' ' ' CYS . 13.1 t0 68.57 52.48 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -111.63 172.54 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.43 134.71 12.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.522 ' HB2' ' CH2' ' A' ' 96' ' ' TRP . 48.5 m-85 -147.49 118.71 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.966 0.412 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.61 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 33.3 m170 -65.33 149.88 49.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.501 HG22 HD11 ' A' ' 70' ' ' LEU . 2.4 p -68.52 -19.9 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -110.28 27.27 9.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.8 m -125.39 -17.75 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' PRO . 9.6 mt -78.1 149.21 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -122.23 102.09 40.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 84' ' ' LEU . 53.2 Cg_endo -69.77 176.53 32.27 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.328 0.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -88.48 164.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.479 ' HE3' ' HD1' ' A' ' 96' ' ' TRP . 2.4 mmt -100.33 93.3 5.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -46.25 -40.48 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.5 m -130.24 176.71 7.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.9 t -107.18 129.13 24.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.586 0.708 . . . . 0.0 111.208 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 150.9 68.71 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -73.48 94.34 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m120 43.44 43.66 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -150.3 61.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.79 ' NE1' HD13 ' A' ' 70' ' ' LEU . 54.7 t90 -110.12 150.26 28.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -151.43 121.77 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.08 171.64 7.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.789 ' O ' HD12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -71.85 -56.82 5.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.95 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.487 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 2.5 t-20 -41.41 -25.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 99' ' ' LYS . 22.1 m -96.13 -38.87 9.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 103' ' ' ILE . 5.8 ptt180 -49.26 -30.0 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 99' ' ' LYS . 3.5 mp -45.83 133.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.46 130.45 46.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.4 tt -111.52 145.84 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.8 t -150.45 114.63 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 163.76 -171.0 39.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.38 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.642 2.228 . . . . 0.0 112.367 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.7 p -119.5 171.15 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 75.7 m -152.88 174.02 14.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.474 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m 59.61 42.14 17.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 p -89.73 -49.21 6.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.82 -134.04 49.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -86.18 89.8 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.804 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -100.25 142.89 31.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.86 117.97 3.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . -93.01 103.24 15.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -110.31 175.51 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 14.0 t -50.63 150.19 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.73 -12.36 23.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -95.71 -56.39 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.41 -31.47 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.459 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.7 t70 74.95 47.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -139.36 151.35 66.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.81 -51.52 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 32.88 -124.62 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.442 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.14 130.37 37.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.0 -38.87 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.69 -53.56 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -50.78 -45.9 59.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.5 HE21 ' CD2' ' A' ' 33' ' ' HIS . 3.1 pt20 -69.46 156.64 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.601 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 18.7 m-85 -93.02 169.29 10.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -135.65 111.06 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.9 t -64.56 156.56 29.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.1 p -100.78 -32.4 10.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.9 m -72.29 -64.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.6 p -86.45 -43.63 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.67 40.22 6.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -93.43 171.54 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 110.923 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 8' ' ' ALA . 18.4 m170 -112.74 139.13 48.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.609 ' HB3' HD12 ' A' ' 37' ' ' LEU . 89.8 m-85 -145.46 121.17 10.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.5 ' CD2' HE21 ' A' ' 22' ' ' GLN . 41.2 m80 -76.71 152.44 35.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.21 -27.1 64.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.7 mmt -87.93 -45.52 10.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.4 m -51.12 -36.45 40.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.609 HD12 ' HB3' ' A' ' 32' ' ' TYR . 12.6 mt -104.03 -0.06 29.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 56.38 41.53 28.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 40' ' ' ALA . 78.0 mt -103.39 151.68 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' N ' HG22 ' A' ' 39' ' ' ILE . . . -98.04 100.8 12.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.8 t -41.33 131.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 45' ' ' LYS . 1.6 t -140.99 146.23 42.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.76 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 tp -103.27 -48.77 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.571 ' H ' HG23 ' A' ' 42' ' ' THR . 54.3 mttt -64.23 -49.92 70.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 12.9 mtp-105 -32.81 -42.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.74 99.01 12.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.16 50.89 4.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 77.9 t90 -86.3 139.7 30.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.303 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -122.89 135.58 54.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 2.5 p -79.15 157.37 75.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 54.4 Cg_endo -69.75 -3.91 12.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.416 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 15.6 mm-40 -97.44 -16.71 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.673 ' O ' HG13 ' A' ' 56' ' ' VAL . 98.4 m -119.29 -51.27 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 54' ' ' CYS . 14.1 pttm -29.51 142.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' ' 63' ' ' SER . 28.4 m -145.15 176.59 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.45 118.93 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -84.41 11.05 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -106.37 -33.23 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 62' ' ' GLN . 22.8 p -131.71 -1.08 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.446 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 52.76 54.14 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.437 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 25.3 mt-30 -145.34 129.93 17.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.831 ' HB2' HG12 ' A' ' 56' ' ' VAL . 43.8 t -117.69 121.96 42.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -173.91 -64.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.35 80.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -57.78 -57.11 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 p -45.29 -61.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -56.66 -39.06 73.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.6 ttm -58.77 132.49 54.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.852 HD12 HD11 ' A' ' 84' ' ' LEU . 97.5 mt -100.83 119.0 38.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.7 t -92.74 106.5 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.0 t -67.26 159.14 29.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' CE ' ' A' ' 45' ' ' LYS . 24.4 t0 -101.05 -41.8 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -62.97 -60.89 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 76' ' ' ASP . 18.3 p -89.66 -45.54 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' N ' ' SG ' ' A' ' 75' ' ' CYS . 33.8 t0 72.06 54.97 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -103.36 -67.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.0 122.27 2.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -146.83 118.49 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -56.19 142.08 38.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.405 ' O ' HG13 ' A' ' 87' ' ' VAL . 28.3 p -49.05 -50.05 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -67.55 -25.42 65.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 54.9 m -83.78 23.63 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.852 HD11 HD12 ' A' ' 70' ' ' LEU . 97.0 mt -117.71 137.08 52.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.455 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 17.2 mt-30 -122.1 105.24 37.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.7 Cg_endo -69.68 173.83 42.72 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.732 -1.778 . . . . 0.0 112.326 -0.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 81' ' ' THR . 6.2 t -84.42 148.93 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.406 ' CE ' ' HD3' ' A' ' 92' ' ' PRO . 45.6 mmm -86.92 92.06 8.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 0.1 OUTLIER -45.47 -38.54 6.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.2 m -124.62 176.23 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.619 HG13 ' HD2' ' A' ' 92' ' ' PRO . 98.6 t -110.25 137.54 20.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.741 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.619 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.7 Cg_endo -69.76 152.18 69.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.3 p -125.64 29.93 5.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 95' ' ' GLY . 53.4 t30 -173.39 108.43 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 94' ' ' ASN . . . 32.31 93.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.59 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 30.4 t90 -81.35 158.57 24.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 13.6 mmtm -131.85 110.26 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.71 147.52 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.863 ' O ' HD12 ' A' ' 103' ' ' ILE . 2.5 ttmm -40.9 -65.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.507 ' O ' HD13 ' A' ' 103' ' ' ILE . 25.3 t-20 -35.93 -29.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' A' ' 99' ' ' LYS . 33.7 m -94.97 -44.82 7.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -40.82 -38.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 99' ' ' LYS . 4.2 mp -38.42 144.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.3 p -101.19 -25.37 14.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 105' ' ' ILE . 11.2 tt -127.91 81.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.8 p -106.65 129.22 54.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -84.59 152.93 28.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.66 65.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.1 p -74.01 -46.96 40.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.4 p 43.87 42.4 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.196 -0.78 . . . . 0.0 112.479 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 55.5 m -37.49 132.79 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 110.864 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -82.04 135.97 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.77 -80.48 1.07 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.452 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -122.32 131.45 53.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -169.66 152.19 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.17 -168.96 12.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.02 26.98 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -104.61 177.46 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.7 t -67.56 140.01 56.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.698 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -92.41 6.08 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.61 -42.17 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -109.97 -25.29 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 31.5 m-20 68.25 49.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 m -139.91 145.73 43.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.362 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.3 -112.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.64 135.37 50.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD13 ' NE2' ' A' ' 22' ' ' GLN . 4.3 mm? -86.24 -44.68 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -68.06 -52.88 30.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -45.29 -41.79 9.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.554 ' NE2' HD13 ' A' ' 19' ' ' LEU . 14.3 pt20 -84.06 143.22 29.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HB3' ' CD2' ' A' ' 49' ' ' TRP . 53.3 m-85 -75.88 169.86 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -136.29 124.56 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 t -76.83 155.24 33.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 p -101.44 -32.15 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.2 m -72.02 -66.08 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.8 p -83.42 -41.77 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.73 42.53 5.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.633 ' OE1' ' HB2' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -100.12 177.91 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.942 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' C ' ' CD1' ' A' ' 32' ' ' TYR . 12.4 m-70 -123.9 148.47 46.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.698 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 76.8 m-85 -156.57 122.53 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' CD2' ' HB3' ' A' ' 22' ' ' GLN . 40.0 m80 -68.5 168.18 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.21 -26.09 62.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 36' ' ' CYS . 11.9 ptm -88.24 -35.22 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 35' ' ' MET . 1.8 m -60.87 -34.07 74.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.584 HD12 ' HB3' ' A' ' 32' ' ' TYR . 15.1 mt -111.03 -2.19 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 61.62 42.9 10.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -101.32 143.04 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.14 109.78 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.4 t -66.13 106.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.5 p -124.24 152.62 67.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -3.39 11.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.686 2.257 . . . . 0.0 112.396 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.761 HD23 HG22 ' A' ' 74' ' ' THR . 7.1 tp -105.44 -39.51 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 46' ' ' ARG . 35.0 ttmt -65.43 -49.82 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 45' ' ' LYS . 70.8 mtp180 -33.68 -46.56 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.89 132.59 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.88 39.24 89.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.463 ' CD2' ' HB3' ' A' ' 23' ' ' PHE . 90.5 t90 -90.25 162.86 15.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.733 0.301 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -158.41 137.46 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' HB2' ' HD2' ' A' ' 52' ' ' PRO . 4.2 p -68.69 157.0 89.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 51' ' ' CYS . 53.4 Cg_endo -69.8 -1.71 8.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -98.0 -21.94 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 99.7 m -112.53 -33.65 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' C ' HG13 ' A' ' 56' ' ' VAL . 17.4 ttpp -56.37 146.66 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 63' ' ' SER . 19.2 m -157.01 169.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 36.4 t -56.57 153.28 10.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -108.45 -16.55 14.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -83.61 -46.08 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.5 p -109.79 -28.42 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp 66.27 52.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -135.68 108.68 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.412 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . 29.5 p -76.5 166.43 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.31 -84.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.52 83.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -73.65 -53.31 10.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -40.97 -65.88 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -55.24 -42.58 73.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 1.3 tpp -53.03 136.19 35.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 79' ' ' TYR . 3.1 mt -94.8 150.78 19.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.8 t -131.07 98.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.8 t -47.83 164.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -102.89 -32.66 9.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.761 HG22 HD23 ' A' ' 44' ' ' LEU . 27.6 m -84.3 -70.2 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.79 -20.0 50.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 56.32 53.55 8.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -91.95 -174.36 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.84 117.23 1.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 34.2 m-85 -145.47 118.26 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.899 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.593 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 35.2 m170 -61.33 136.3 58.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.566 HG21 HG22 ' A' ' 91' ' ' VAL . 21.4 p -48.29 -35.27 11.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 14.8 p90 -81.66 -20.52 39.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.2 m -89.3 25.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.53 HD11 ' CD1' ' A' ' 70' ' ' LEU . 80.5 mt -112.85 141.1 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -121.3 104.76 40.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.936 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 53.8 Cg_endo -69.78 173.1 46.02 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.318 0.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 82' ' ' PHE . 2.9 t -78.2 153.65 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.446 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 4.7 mtt -86.75 108.47 18.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -31.51 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 p -137.56 174.17 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.566 HG22 HG21 ' A' ' 81' ' ' THR . 95.2 t -108.16 130.61 22.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 111.174 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.579 ' HG3' ' CD1' ' A' ' 96' ' ' TRP . 53.3 Cg_endo -69.77 168.56 21.22 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.1 m -134.6 -35.68 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 95' ' ' GLY . 0.9 OUTLIER -86.45 87.41 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 94' ' ' ASN . . . 31.99 91.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.579 ' CD1' ' HG3' ' A' ' 92' ' ' PRO . 58.2 t90 -67.07 145.29 55.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -122.94 118.16 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.5 p -72.46 167.6 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 101' ' ' CYS . 18.8 tptm -61.93 -62.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.403 ' O ' HD13 ' A' ' 103' ' ' ILE . 1.6 t30 -38.87 -25.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 99' ' ' LYS . 13.5 m -93.83 -37.37 11.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 99' ' ' LYS . 2.0 ptm180 -48.79 -24.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.419 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 1.8 mp -48.82 148.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.1 p -67.38 121.14 15.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.7 tp -97.71 145.03 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -46.98 127.79 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -149.65 175.23 28.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 177.6 5.42 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.7 t -163.39 150.01 12.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 90.1 p -40.39 151.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.51 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p -104.36 128.14 52.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -125.99 90.12 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.06 100.03 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -162.71 132.99 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -143.14 172.37 12.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.28 -65.02 1.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.741 ' HB1' ' CD2' ' A' ' 31' ' ' HIS . . . -74.53 94.36 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.04 153.76 18.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 17.8 t -60.55 123.67 18.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.919 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . . . -72.97 5.8 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.481 HG23 ' HD1' ' A' ' 32' ' ' TYR . 60.3 t -115.44 -49.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 10' ' ' CYS . 17.4 p -107.24 -21.63 12.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 9.1 m-20 64.76 53.08 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -143.2 139.09 16.25 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.721 0.772 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.79 -52.66 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 34.06 -109.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.9 m-20 -102.41 129.74 48.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 19' ' ' LEU . 4.0 mm? -95.71 -30.46 13.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.93 -31.17 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.968 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.91 37.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 18' ' ' ASP . 31.9 mt-30 -117.4 116.43 27.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.589 ' HB3' ' CE3' ' A' ' 49' ' ' TRP . 53.1 m-85 -66.0 151.0 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -125.06 114.85 19.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.0 t -76.49 156.22 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.3 p -98.41 -32.66 11.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -72.83 -67.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 29' ' ' GLY . 20.4 p -84.63 -46.34 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 28' ' ' CYS . . . 90.45 43.77 4.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -98.66 178.75 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.741 ' CD2' ' HB1' ' A' ' 8' ' ' ALA . 9.1 m-70 -122.63 141.75 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.919 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 94.7 m-85 -146.9 144.76 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -81.28 161.6 23.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -76.38 -28.7 59.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.545 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.7 ttt -88.2 -44.94 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.4 m -50.07 -39.36 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.5 HD12 ' HB3' ' A' ' 32' ' ' TYR . 28.3 mt -101.52 8.98 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 52.77 36.9 22.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' GLY . 78.6 mt -101.08 146.48 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 42' ' ' THR . . . -97.76 98.03 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.9 t -48.01 123.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 40' ' ' ALA . 31.0 p -139.74 155.16 71.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 111.122 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 9.74 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.341 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.613 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -102.58 -47.4 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 46' ' ' ARG . 4.9 mtmp? -69.98 -52.48 23.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 45' ' ' LYS . 49.8 mtt-85 -30.47 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' LYS . . . -76.7 97.75 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.76 53.06 48.4 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 23' ' ' PHE . 60.8 t90 -71.62 159.29 34.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.719 0.295 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.456 ' O ' ' CE2' ' A' ' 49' ' ' TRP . 7.2 mt-30 -128.0 140.97 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.587 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.6 p -87.71 157.37 52.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.47 ' HA ' ' CD ' ' A' ' 55' ' ' LYS . 53.6 Cg_endo -69.75 -2.58 10.41 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.662 2.241 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 23.9 mt-10 -97.53 -18.31 19.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.694 ' O ' HG13 ' A' ' 56' ' ' VAL . 71.4 m -118.73 -43.7 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 54' ' ' CYS . 8.9 ptmm? -30.31 142.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 54' ' ' CYS . 26.0 m -146.81 175.35 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.064 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 37.2 t -72.36 149.21 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . 23.5 mm-40 -109.33 -11.57 14.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -85.75 -32.96 21.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.57 -21.82 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 57' ' ' CYS . 24.1 mmtp 63.15 54.81 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -147.27 128.61 14.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.461 ' HB3' HG12 ' A' ' 56' ' ' VAL . 87.3 p -98.59 124.85 43.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.19 -71.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -81.48 104.01 11.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -82.05 -50.05 9.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.3 p -53.62 -44.65 69.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -83.27 40.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.601 ' SD ' ' CD2' ' A' ' 80' ' ' HIS . 2.1 tpp -133.11 139.59 47.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.615 HD21 ' HD2' ' A' ' 92' ' ' PRO . 75.1 mt -108.19 138.75 43.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 81.2 t -110.55 118.98 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 40.2 t -69.36 127.98 34.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.97 24.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 m -132.17 -53.21 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.453 ' HA ' HD12 ' A' ' 44' ' ' LEU . 28.7 p -105.61 -26.84 11.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 72.93 44.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -103.86 102.55 12.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.8 135.46 42.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 28.9 m-85 -146.97 113.92 6.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.936 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.601 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 25.2 m170 -57.74 136.83 56.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.408 ' O ' HG13 ' A' ' 87' ' ' VAL . 10.6 p -47.36 -39.56 15.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 80' ' ' HIS . 10.7 p90 -76.23 -24.43 54.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.0 m -85.13 25.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 86' ' ' PRO . 97.9 mt -122.27 141.33 51.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -119.74 107.95 39.77 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' LEU . 53.6 Cg_endo -69.74 172.9 46.77 Favored 'Cis proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.374 -0.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 82' ' ' PHE . 2.8 t -80.37 148.42 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.7 mmt -88.49 147.97 24.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -101.76 -42.5 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.7 p -131.83 171.01 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.63 124.08 54.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.709 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.615 ' HD2' HD21 ' A' ' 70' ' ' LEU . 53.2 Cg_endo -69.8 163.25 38.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.6 m -121.35 -46.75 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -49.09 -52.11 27.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 164.69 126.22 0.81 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.447 ' NE1' HD13 ' A' ' 70' ' ' LEU . 71.6 t90 -103.08 147.12 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.57 130.26 19.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 2.4 p -76.51 143.48 40.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 100' ' ' ASN . 17.6 ttmm -41.6 -60.43 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 99' ' ' LYS . 27.7 t30 -34.99 -36.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' LYS . 62.3 m -89.23 -42.75 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 103' ' ' ILE . 15.9 mtp180 -49.41 -37.12 24.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 102' ' ' ARG . 29.1 mm -32.44 121.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 16.8 t -76.84 98.85 4.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' SER . 10.3 tt -117.34 149.34 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' ILE . 1.7 t -37.83 -47.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 52.31 172.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 129.04 16.92 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.356 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.5 m -58.48 -58.16 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.4 t -95.64 151.81 19.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_